5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C14H11ClN4OS — CID 177309589

IUPAC5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2c(N)cc(=O)n(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C14H11ClN4OS/c1-21-14-17-7-10-11(16)6-12(20)19(13(10)18-14)9-4-2-8(15)3-5-9/h2-7H,16H2,1H3
InChIKeyLJRHNYYOPZOCDT-UHFFFAOYSA-N
MW318.79 g/mol
LogP2.74
Rot. Bonds2

About 5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 177309589) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID177309589
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2c(N)cc(=O)n(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C14H11ClN4OS/c1-21-14-17-7-10-11(16)6-12(20)19(13(10)18-14)9-4-2-8(15)3-5-9/h2-7H,16H2,1H3
InChIKeyLJRHNYYOPZOCDT-UHFFFAOYSA-N
XLogP2.74
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-8-phenyl-5-(2-triethylsilylethynyl)pyrido[2,3-d]pyrimidin-7-one
CID 171547425
6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135381338
sodium;3-(4-chlorophenyl)-6-methylsulfanyl-1H-1,3,5-triazine-2,4-dione;hydride
CID 173460928
3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301249
6-methyl-2-methylsulfanyl-8-phenyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-one
CID 171547187
6-methoxy-8-[3-(methoxyamino)phenyl]-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 90383004
5-(4-chlorophenyl)-2-methylsulfanylpyrimidine
CID 1483973
8-ethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 10560946
2,6-bis(4-chlorophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634870
11-methyl-4-methylsulfanyl-1,3,5,11-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-2,4,6,9,13,15,17-heptaene-8,12-dione
CID 141140932
2-methylsulfanyl-8-propan-2-yl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-one
CID 171546993
8-(2-ethylbutyl)-5-hydroxy-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 90989015

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 177309589) is 5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2c(N)cc(=O)n(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LJRHNYYOPZOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c1-21-14-17-7-10-11(16)6-12(20)19(13(10)18-14)9-4-2-8(15)3-5-9/h2-7H,16H2,1H3.
What are the key properties of 5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 318.79 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-(4-chlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 177309589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).