8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one

C15H12ClN3OS — CID 69456350

IUPAC8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESCCSc1nc2c(Cl)ccnc2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H12ClN3OS/c1-2-21-15-18-12-11(16)8-9-17-13(12)14(20)19(15)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyIYMSOCGXVBLHCD-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.55
Rot. Bonds3

About 8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one

8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 69456350) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one
PubChem CID69456350
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one
SMILESCCSc1nc2c(Cl)ccnc2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H12ClN3OS/c1-2-21-15-18-12-11(16)8-9-17-13(12)14(20)19(15)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyIYMSOCGXVBLHCD-UHFFFAOYSA-N
XLogP3.55
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one (CID 69456350) is 8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one is CCSc1nc2c(Cl)ccnc2c(=O)n1-c1ccccc1.
What is the InChIKey of 8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is IYMSOCGXVBLHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-2-21-15-18-12-11(16)8-9-17-13(12)14(20)19(15)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one?
8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 317.80 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-ethylsulfanyl-3-phenylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 69456350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).