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Heterocyclic building blocks

Nitensidine E

Also known as 6-methyl-6-[(1E)-4-methylpenta-1,3-dien-1-yl]-1,4,5,6-tetrahydropyrimidin-2-amine, 6-methyl-6-((1E)-4-methylpenta-1,3-dien-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine, 6-methyl-6-((1E)-4-methylpenta-1,3-dienyl)-4,5-dihydro-1H-pyrimidin-2-amine

CAS 1107631-56-0Formula C11H19N3Molar mass 193.29 g/mol
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Nitensidine E chemical structure, C11H19N3, CAS 1107631-56-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1107631-56-0
Formula
C11H19N3
Molar mass
193.29 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Nitensidine E?

Plain description, key identifiers and synonyms

Nitensidine E is an alkaloid that is 1,4,5,6-tetrahydropyrimidine substituted by an amino group at position 2 and by a methyl group and a 4-methylpenta-1,3-dien-1-yl group at position 6. Isolated from the leaves of Pterogyne nitens, it exhibits cytotoxicity against a panel of human cancer cell lines. It has a role as a metabolite and an antineoplastic agent. It is an alkaloid, a member of guanidines and a member of 1,4,5,6-tetrahydropyrimidines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-methyl-6-[(1E)-4-methylpenta-1,3-dienyl]-4,5-dihydro-1H-pyrimidin-2-amine
CAS number
1107631-56-0
Molecular formula
C11H19N3
InChIKey
HESWCJDXWDNXCR-GQCTYLIASA-N
InChI
InChI=1S/C11H19N3/c1-9(2)5-4-6-11(3)7-8-13-10(12)14-11/h4-6H,7-8H2,1-3H3,(H3,12,13,14)/b6-4+
Canonical SMILES
CC(C)=CC=CC1(C)CCN=C(N)N1
Isomeric SMILES
CC(=C/C=C/C1(CCN=C(N1)N)C)C

Synonyms

  • 6-methyl-6-[(1E)-4-methylpenta-1,3-dien-1-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
  • 6-methyl-6-((1E)-4-methylpenta-1,3-dien-1-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
  • 6-methyl-6-((1E)-4-methylpenta-1,3-dienyl)-4,5-dihydro-1H-pyrimidin-2-amine

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
193.29 g/molcalc.
Exact mass
193.1579 Dacalc.
LogP (octanol/water)
1.58calc.
Topological polar surface area
50.41 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.55calc.
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, C1=NCCCN1

C1=NCCCN1

1 ring, 6 atoms, the 1,4,5,6-Tetrahydropyrimidine ring system.

194 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.

Nitensidine E suppliers

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Nitensidine E price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antineoplastic agent
  • metabolite
  • pharmaceutical

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 Nitensidine E 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 Nitensidine E is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Nitensidine E, based on the data on this page

What is Nitensidine E?

Nitensidine E is an alkaloid that is 1,4,5,6-tetrahydropyrimidine substituted by an amino group at position 2 and by a methyl group and a 4-methylpenta-1,3-dien-1-yl group at position 6. Isolated from the leaves of Pterogyne nitens, it exhibits cytotoxicity against a panel of human cancer cell lines.

What is the CAS number of Nitensidine E?

The CAS registry number of Nitensidine E is 1107631-56-0.

What is the molecular formula and weight of Nitensidine E?

The molecular formula of Nitensidine E is C11H19N3 and its molar mass is 193.29 g/mol.

What is Nitensidine E used for?

Known uses and roles of Nitensidine E include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, metabolite and pharmaceutical.

Is Nitensidine E hazardous?

No GHS hazard classification for Nitensidine E 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 Nitensidine E?

Nitensidine E 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 Nitensidine E?

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

What is the price of Nitensidine E?

Suppliers quote Nitensidine E 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

Practical guides that help when you source, ship or handle Nitensidine E

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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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