5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile

C12H12N4OS — CID 141182822

IUPAC5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCCc1c(C#N)c(=O)[nH]c2nc(SC)nc(C)c12
InChIInChI=1S/C12H12N4OS/c1-4-7-8(5-13)11(17)15-10-9(7)6(2)14-12(16-10)18-3/h4H2,1-3H3,(H,14,15,16,17)
InChIKeyKXELUABSFMSFNF-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.78
Rot. Bonds2

About 5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile

5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 141182822) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID141182822
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCCc1c(C#N)c(=O)[nH]c2nc(SC)nc(C)c12
InChIInChI=1S/C12H12N4OS/c1-4-7-8(5-13)11(17)15-10-9(7)6(2)14-12(16-10)18-3/h4H2,1-3H3,(H,14,15,16,17)
InChIKeyKXELUABSFMSFNF-UHFFFAOYSA-N
XLogP1.78
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyl-6-fluoro-5-methyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 69943817
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
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
4-ethyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 140984610
4-cyclohexyl-2-methylsulfanyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 141132976
4-cyclopentyl-2-methylsulfinyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 141132980
5-ethyl-2-(ethylamino)-4-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 141182814
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
4-methyl-2-methylsulfonyl-5-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 141302003

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile (CID 141182822) is 5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile is CCc1c(C#N)c(=O)[nH]c2nc(SC)nc(C)c12.
What is the InChIKey of 5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is KXELUABSFMSFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-4-7-8(5-13)11(17)15-10-9(7)6(2)14-12(16-10)18-3/h4H2,1-3H3,(H,14,15,16,17).
What are the key properties of 5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile?
5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 260.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-methylsulfanyl-7-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 141182822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).