5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one

C17H17N3OS — CID 135433270

IUPAC5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(SCc3ccccc3C)nc2n1
InChIInChI=1S/C17H17N3OS/c1-10-6-4-5-7-13(10)9-22-17-19-15-14(16(21)20-17)11(2)8-12(3)18-15/h4-8H,9H2,1-3H3,(H,18,19,20,21)
InChIKeyUTPRCADIDLJHPD-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.54
Rot. Bonds3

About 5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one

5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135433270) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135433270
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(SCc3ccccc3C)nc2n1
InChIInChI=1S/C17H17N3OS/c1-10-6-4-5-7-13(10)9-22-17-19-15-14(16(21)20-17)11(2)8-12(3)18-15/h4-8H,9H2,1-3H3,(H,18,19,20,21)
InChIKeyUTPRCADIDLJHPD-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
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CID 135406328
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinamide
CID 686880
2-Methylsulfanyl-3-o-tolyl-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 929434
2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(piperidin-1-yl)ethan-1-one
CID 135412573
N-(4-acetylphenyl)-2-[(3-ethyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]acetamide
CID 1996177
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768
5,7-Dimethyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-one
CID 5468781
2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468785
4,6-Dimethyl-2-(naphthalen-1-ylamino)-nicotinamide
CID 744674
2-[[3-(2-methylphenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl]sulfanyl]-N-phenylacetamide
CID 1213138
2-[(4-oxo-3-phenyl-3,4,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-phenylacetamide
CID 1949422

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135433270) is 5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)c2c(=O)[nH]c(SCc3ccccc3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is UTPRCADIDLJHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-10-6-4-5-7-13(10)9-22-17-19-15-14(16(21)20-17)11(2)8-12(3)18-15/h4-8H,9H2,1-3H3,(H,18,19,20,21).
What are the key properties of 5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 311.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135433270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).