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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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).