1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile

C13H12N4OS — CID 164919058

IUPAC1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile
SMILESCSc1nc(C)c2cc(C3(C#N)CC3)c(=O)[nH]c2n1
InChIInChI=1S/C13H12N4OS/c1-7-8-5-9(13(6-14)3-4-13)11(18)16-10(8)17-12(15-7)19-2/h5H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyIFRXGFNOMLKEGL-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.90
Rot. Bonds2

About 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile

1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile (PubChem CID 164919058) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile
PubChem CID164919058
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile
SMILESCSc1nc(C)c2cc(C3(C#N)CC3)c(=O)[nH]c2n1
InChIInChI=1S/C13H12N4OS/c1-7-8-5-9(13(6-14)3-4-13)11(18)16-10(8)17-12(15-7)19-2/h5H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyIFRXGFNOMLKEGL-UHFFFAOYSA-N
XLogP1.90
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-[1-(difluoromethyl)cyclopropyl]-2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 164918768
2-(Methylthio)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 21073406
8-Ethyl-4-methyl-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 57606961
6-bromo-4-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 59258909
4,6-dimethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 68323658
4-cyclopropyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 90939451
6-(2,5-dihydro-1H-imidazol-4-yl)-8-ethyl-4-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 123284770
4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 140984610
5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 141182822
4-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 141207543
5-ethyl-4-methyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 141300918
4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 141300920

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile (CID 164919058) is 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile is CSc1nc(C)c2cc(C3(C#N)CC3)c(=O)[nH]c2n1.
What is the InChIKey of 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile?
The InChIKey is IFRXGFNOMLKEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-7-8-5-9(13(6-14)3-4-13)11(18)16-10(8)17-12(15-7)19-2/h5H,3-4H2,1-2H3,(H,15,16,17,18).
What are the key properties of 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile?
1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile has a molecular weight of 272.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 164919058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).