2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

C12H11N5OS — CID 58296325

IUPAC2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCSc1nc(NC2=CCN=C2)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C12H11N5OS/c1-19-12-16-8-3-5-14-11(18)9(8)10(17-12)15-7-2-4-13-6-7/h2-3,5-6H,4H2,1H3,(H,14,18)(H,15,16,17)
InChIKeySVSWTRHGFCLVFK-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.42
Rot. Bonds3

About 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one

2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 58296325) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID58296325
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCSc1nc(NC2=CCN=C2)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C12H11N5OS/c1-19-12-16-8-3-5-14-11(18)9(8)10(17-12)15-7-2-4-13-6-7/h2-3,5-6H,4H2,1H3,(H,14,18)(H,15,16,17)
InChIKeySVSWTRHGFCLVFK-UHFFFAOYSA-N
XLogP1.42
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one (CID 58296325) is 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is CSc1nc(NC2=CCN=C2)c2c(=O)[nH]ccc2n1.
What is the InChIKey of 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is SVSWTRHGFCLVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-19-12-16-8-3-5-14-11(18)9(8)10(17-12)15-7-2-4-13-6-7/h2-3,5-6H,4H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one?
2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 273.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-(2H-pyrrol-4-ylamino)-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 58296325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).