methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate

C16H13N3O3S — CID 686737

IUPACmethyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(=O)c2c(SC)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C16H13N3O3S/c1-22-16(21)10-8-11(20)12-14(17-10)18-13(19-15(12)23-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18,19,20)
InChIKeyOKUJGSDQKGCZTR-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.49
Rot. Bonds3

About methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate

methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate (PubChem CID 686737) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate
PubChem CID686737
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Namemethyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(=O)c2c(SC)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C16H13N3O3S/c1-22-16(21)10-8-11(20)12-14(17-10)18-13(19-15(12)23-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18,19,20)
InChIKeyOKUJGSDQKGCZTR-UHFFFAOYSA-N
XLogP2.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate with MolForge

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Related Compounds

1-[4-Amino-6-(methylthio)-2-phenyl-5-pyrimidinyl]ethanone
CID 2834002
4-(methylsulfanyl)-2,7-diphenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 683953
4-(methylthio)-2-phenylpyrido[2,3-d]pyrimidin-5(8H)-one
CID 5337893
4-Methyl-5-oxo-2-phenyl-5,8-dihydro-pyrido[2,3-d]pyrimidine-7-carboxylic acid methyl ester
CID 5369473
methyl 2-methyl-5-oxo-4-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate
CID 5219030
methyl N-[5-acetyl-6-(methylsulfanyl)-2-phenyl-4-pyrimidinyl]ethanimidoate
CID 15184796
7-methyl-4-methylsulfanyl-2-phenyl-8H-pyrido[2,3-d]pyrimidin-5-one
CID 15184797
Methyl 4-anilino-6-benzylsulfanyl-2-methylsulfanylpyrimidine-5-carboxylate
CID 46854749
Methyl 4-anilino-6-methylsulfanyl-2-phenylpyrimidine-5-carboxylate
CID 14171547
Methyl [(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)sulfanyl]acetate
CID 16426347
methyl (1Z)-N-(5-acetyl-6-methylsulfanyl-2-phenylpyrimidin-4-yl)ethanimidate
CID 21595613

Frequently Asked Questions

What is the IUPAC name of methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The IUPAC name of methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate (CID 686737) is methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate is COC(=O)c1cc(=O)c2c(SC)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate?
The InChIKey is OKUJGSDQKGCZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-22-16(21)10-8-11(20)12-14(17-10)18-13(19-15(12)23-2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,17,18,19,20).
What are the key properties of methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate?
methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate has a molecular weight of 327.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylsulfanyl-5-oxo-2-phenyl-8H-pyrido[2,3-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 686737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).