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Heterocyclic building blocks

MS-818

Also known as 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-piperazinyl)-, maleate, MS 818, 6,7-Dihydro-6-methyl-2-(1-piperazinyl)-5H-pyrrolo(3,4-d)pyrimidin-5-one (2Z)-2-butenedioate (1:1)

CAS 149607-79-4Formula C16H20N4O5Molar mass 348.36 g/mol
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MS-818 chemical structure, C16H20N4O5, CAS 149607-79-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
149607-79-4
Formula
C16H20N4O5
Molar mass
348.36 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is MS-818?

Plain description, key identifiers and synonyms

MS-818 is a chemical substance with the molecular formula C16H20N4O5 and a molar mass of 348.36 g/mol. Its CAS registry number is 149607-79-4. The IUPAC name is (Z)-but-2-enedioic acid, 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(Z)-but-2-enedioic acid, 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CAS number
149607-79-4
Molecular formula
C16H20N4O5
UNII
ASO5IK56NV
InChIKey
LLODWRMBHSQFNW-BTJKTKAUSA-N
InChI
InChI=1S/C12H16N4O.C4H4O4/c1-15-8-10-9(11(15)17)7-13-12(14-10)16-5-3-2-4-6-16;5-3(6)1-2-4(7)8/h7H,2-6,8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
Canonical SMILES
CN1Cc2nc(N3CCCCC3)ncc2C1=O.O=C(O)C=CC(=O)O
Isomeric SMILES
CN1CC2=NC(=NC=C2C1=O)N3CCCCC3.C(=C\C(=O)O)\C(=O)O

Synonyms

  • 5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-piperazinyl)-, maleate
  • MS 818
  • 6,7-Dihydro-6-methyl-2-(1-piperazinyl)-5H-pyrrolo(3,4-d)pyrimidin-5-one (2Z)-2-butenedioate (1:1)

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
348.36 g/molcalc.
Exact mass
348.1434 Dacalc.
LogP (octanol/water)
0.76calc.
Topological polar surface area
123.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
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=C1NCc2nc(N3CCCCC3)ncc21

O=C1NCc2nc(N3CCCCC3)ncc21

3 rings, 16 atoms.

1 other chemical 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.

MS-818 suppliers

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MS-818 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 MS-818 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 MS-818 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about MS-818, based on the data on this page

What is MS-818?

MS-818 is a chemical substance with the molecular formula C16H20N4O5 and a molar mass of 348.36 g/mol. Its CAS registry number is 149607-79-4. The IUPAC name is (Z)-but-2-enedioic acid, 6-methyl-2-piperidin-1-yl-7H-pyrrolo[3,4-d]pyrimidin-5-one.

What is the CAS number of MS-818?

The CAS registry number of MS-818 is 149607-79-4.

What is the molecular formula and weight of MS-818?

The molecular formula of MS-818 is C16H20N4O5 and its molar mass is 348.36 g/mol.

What is MS-818 used for?

Known uses and roles of MS-818 include building blocks in research and laboratory.

Is MS-818 hazardous?

No GHS hazard classification for MS-818 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 MS-818?

MS-818 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 MS-818?

Post a free request on CompoundList and suppliers of MS-818 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of MS-818?

Suppliers quote MS-818 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 MS-818

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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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