2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile

C15H10N4OS — CID 68677861

IUPAC2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCSc1ncc2c(=O)c(C#N)cn(-c3ccccc3)c2n1
InChIInChI=1S/C15H10N4OS/c1-21-15-17-8-12-13(20)10(7-16)9-19(14(12)18-15)11-5-3-2-4-6-11/h2-6,8-9H,1H3
InChIKeyBUTSJLQVLQWKQW-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.37
Rot. Bonds2

About 2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile

2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 68677861) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID68677861
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCSc1ncc2c(=O)c(C#N)cn(-c3ccccc3)c2n1
InChIInChI=1S/C15H10N4OS/c1-21-15-17-8-12-13(20)10(7-16)9-19(14(12)18-15)11-5-3-2-4-6-11/h2-6,8-9H,1H3
InChIKeyBUTSJLQVLQWKQW-UHFFFAOYSA-N
XLogP2.37
TPSA71.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methylthio)-N-phenyl-5-pyrimidinecarboxamide
CID 2231248
4-Amino-8-(4-Aminophenyl)pyrido[2,3-D]pyrimidin-5(8h)-One
CID 11402538
7-(Methylthio)-2-phenylpyrimido(4,5-d)pyrimidin-4(3H)-one
CID 135406757
2-(4-Amino-5-cyano-pyrimidin-2-ylsulfanyl)-N-phenyl-propionamide
CID 647391
11-Ethyl-6-methyl-2-methylsulfanyl-pyrimido[5,4-c][1,5]benzodiazepin-5-one
CID 489535
6-benzyl-2-(methylthio)pyrido[4,3-d]pyrimidin-5(6H)-one
CID 20855137
8-Methyl-2-(4-pyridyl)pyrido[2,3-d]pyrimidin-5-one
CID 460266
Pyrido[2,3-d]pyrimidin-5(8H)-one, 8-ethyl-2-(4-pyridinyl)-
CID 460267
8-Propyl-2-(4-pyridyl)pyrido[2,3-d]pyrimidin-5-one
CID 460268
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]-N-ethyl-N-phenylacetamide
CID 2995790
N-(2-Fluorophenyl)-2-[7-(methylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-D]pyrimidin-3-YL]acetamide
CID 46290308
N-(4-Fluorophenyl)-N-methyl-2-[7-(methylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-D]pyrimidin-3-YL]acetamide
CID 46290313

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile (CID 68677861) is 2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile is CSc1ncc2c(=O)c(C#N)cn(-c3ccccc3)c2n1.
What is the InChIKey of 2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is BUTSJLQVLQWKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c1-21-15-17-8-12-13(20)10(7-16)9-19(14(12)18-15)11-5-3-2-4-6-11/h2-6,8-9H,1H3.
What are the key properties of 2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile?
2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 294.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-oxo-8-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 68677861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).