(6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

Name: (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₁N₃O — CID 136713366

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

SMILESC[C@@H]1CNc2nc[nH]c(=O)c2C1

InChIInChI=1S/C8H11N3O/c1-5-2-6-7(9-3-5)10-4-11-8(6)12/h4-5H,2-3H2,1H3,(H2,9,10,11,12)/t5-/m0/s1

InChIKeyJCQXTOMSNFBJPY-YFKPBYRVSA-N

MW165.20 g/mol

LogP0.37

Rot. Bonds

About (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

(6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136713366) has the molecular formula C₈H₁₁N₃O and a molecular weight of 165.20 g/mol. Its IUPAC name is (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name	(6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID	136713366
Molecular Formula	C₈H₁₁N₃O
Molecular Weight	165.20 g/mol
Exact Mass	165.09
IUPAC Name	(6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILES	C[C@@H]1CNc2nc[nH]c(=O)c2C1
InChI	InChI=1S/C8H11N3O/c1-5-2-6-7(9-3-5)10-4-11-8(6)12/h4-5H,2-3H2,1H3,(H2,9,10,11,12)/t5-/m0/s1
InChIKey	JCQXTOMSNFBJPY-YFKPBYRVSA-N
XLogP	0.37
TPSA	57.78 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.20
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?

The IUPAC name of (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136713366) is (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

What is the SMILES notation for (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?

The canonical SMILES for (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is C[C@@H]1CNc2nc[nH]c(=O)c2C1.

What is the InChIKey of (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?

The InChIKey is JCQXTOMSNFBJPY-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-2-6-7(9-3-5)10-4-11-8(6)12/h4-5H,2-3H2,1H3,(H2,9,10,11,12)/t5-/m0/s1.

What are the key properties of (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?

(6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136713366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 136713366 — identifiers, structure, computed properties (public domain)

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