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

C8H11N3O — CID 136713366

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 CID136713366
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(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
XLogP0.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-6-methyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136713365
6-(2-aminoethyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 173397349
3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one
CID 137274745
7,9,9-trimethyl-5,6,7,8-tetrahydro-3H-cyclohepta[d]pyrimidin-4-one
CID 142252977
5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 135741900
5-bromo-4-[(3-methylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136957244
6-methyl-4,5,6,7,8,10-hexahydro-1H-imidazo[4,5-g][1,3,6]oxadiazonine
CID 163432843
5-bromo-4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956825
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 51893478
(5S)-2-cyclopentyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 99110049
1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one
CID 137121597
2-cyclohexyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-one
CID 102548933

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).