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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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).