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Screening compounds

Nbi-42902

Also known as NBI 42902, 2,4(1H,3H)-Pyrimidinedione, 3-((2R)-2-amino-2-phenylethyl)-1-((2,6-difluorophenyl)methyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-, 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione

CAS 352290-60-9Formula C27H24F3N3O3Molar mass 495.50 g/mol
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Nbi-42902 chemical structure, C27H24F3N3O3, CAS 352290-60-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
352290-60-9
Formula
C27H24F3N3O3
Molar mass
495.50 g/mol
HS code
293359
Category
Screening compounds

What is Nbi-42902?

Plain description, key identifiers and synonyms

Nbi-42902 is a chemical substance with the molecular formula C27H24F3N3O3 and a molar mass of 495.50 g/mol. Its CAS registry number is 352290-60-9. The IUPAC name is 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
CAS number
352290-60-9
Molecular formula
C27H24F3N3O3
UNII
3FWQ4MD98O
InChIKey
CJUWBZDJMYYRDG-QFIPXVFZSA-N
InChI
InChI=1S/C27H24F3N3O3/c1-16-24(18-10-6-13-23(36-2)25(18)30)26(34)33(15-22(31)17-8-4-3-5-9-17)27(35)32(16)14-19-20(28)11-7-12-21(19)29/h3-13,22H,14-15,31H2,1-2H3/t22-/m0/s1
Canonical SMILES
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CC(N)c3ccccc3)c2=O)c1F
Isomeric SMILES
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)C[C@@H](C3=CC=CC=C3)N)C4=C(C(=CC=C4)OC)F

Synonyms

  • NBI 42902
  • 2,4(1H,3H)-Pyrimidinedione, 3-((2R)-2-amino-2-phenylethyl)-1-((2,6-difluorophenyl)methyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-
  • 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
  • 3-((2R)-2-amino-2-phenylethyl)-1-((2,6-difluorophenyl)methyl)-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
  • 3-[(2r)-amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidin-2,4-dione
  • [3H]NBI-49202
  • (R)-1-(2,6-difluorobenzyl)-3-(2-amino-2-phenylethyl)-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4(1H,3H)-dione
  • 1-(2,6-difluuorobenzyl)-3-((2R)-amino-2-phenethyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyluracil
  • 3-((R)-2-Amino-2-phenyl-ethyl)-1-(2,6-difluoro-benzyl)-5-(2-fluoro-3-methoxy-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
  • 3-(2-amino-2-phenylethyl)-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione
  • 3-[(2R)-2-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
  • 3-[(2r)-amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)- 6-methylpyrimidin-2,4-dione

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
495.50 g/molcalc.
Exact mass
495.177 Dacalc.
LogP (octanol/water)
4.16calc.
Topological polar surface area
79.25 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
7calc.
Heavy atoms
36calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.19calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1c(-c2ccccc2)cn(Cc2ccccc2)c(=O)n1CCc1ccccc1

O=c1c(-c2ccccc2)cn(Cc2ccccc2)c(=O)n1CCc1ccccc1

4 rings, 29 atoms.

33 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Nbi-42902 suppliers

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Nbi-42902 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Nbi-42902 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Nbi-42902 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nbi-42902, based on the data on this page

What is Nbi-42902?

Nbi-42902 is a chemical substance with the molecular formula C27H24F3N3O3 and a molar mass of 495.50 g/mol. Its CAS registry number is 352290-60-9. The IUPAC name is 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione.

What is the CAS number of Nbi-42902?

The CAS registry number of Nbi-42902 is 352290-60-9.

What is the molecular formula and weight of Nbi-42902?

The molecular formula of Nbi-42902 is C27H24F3N3O3 and its molar mass is 495.50 g/mol.

What is Nbi-42902 used for?

Known uses and roles of Nbi-42902 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Nbi-42902 hazardous?

No GHS hazard classification for Nbi-42902 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Nbi-42902?

Nbi-42902 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Nbi-42902?

Post a free request on CompoundList and suppliers of Nbi-42902 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Nbi-42902?

Suppliers quote Nbi-42902 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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