5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one

C20H21N3O2S — CID 135469023

IUPAC5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)c3ccc(C(C)C)cc3)nc2n1
InChIInChI=1S/C20H21N3O2S/c1-11(2)14-5-7-15(8-6-14)16(24)10-26-20-22-18-17(19(25)23-20)12(3)9-13(4)21-18/h5-9,11H,10H2,1-4H3,(H,21,22,23,25)
InChIKeyOEIYEETXSDPKFT-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.03
Rot. Bonds5

About 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one

5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135469023) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135469023
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)c2c(=O)[nH]c(SCC(=O)c3ccc(C(C)C)cc3)nc2n1
InChIInChI=1S/C20H21N3O2S/c1-11(2)14-5-7-15(8-6-14)16(24)10-26-20-22-18-17(19(25)23-20)12(3)9-13(4)21-18/h5-9,11H,10H2,1-4H3,(H,21,22,23,25)
InChIKeyOEIYEETXSDPKFT-UHFFFAOYSA-N
XLogP4.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-Methylsulfanyl-3-o-tolyl-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]quinolin-4-one
CID 929434
4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide
CID 717110
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
7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one
CID 5468782
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
2-(4-Oxo-3-phenyl-3,4,6,7,8,9-hexahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-N-m-tolyl-acetamide
CID 3493227
2-(5-Hydroxy-7-phenyl-[1,8]naphthyridin-2-yl)-acetamide
CID 44333467
7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid 4-methyl-benzylamide
CID 44403635
1-(3,4-Dimethylphenyl)-2-[(4-hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl)thio]ethanone
CID 135423599
5,7-dimethyl-2-[(2-methylphenyl)methylsulfanyl]-1H-pyrido[2,3-d]pyrimidin-4-one
CID 135433270

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135469023) is 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)c2c(=O)[nH]c(SCC(=O)c3ccc(C(C)C)cc3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OEIYEETXSDPKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-11(2)14-5-7-15(8-6-14)16(24)10-26-20-22-18-17(19(25)23-20)12(3)9-13(4)21-18/h5-9,11H,10H2,1-4H3,(H,21,22,23,25).
What are the key properties of 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one?
5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 367.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanyl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135469023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).