4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one

C8H7N3OS — CID 67119723

IUPAC4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one
SMILESCSc1nc(=O)[nH]c2cccnc12
InChIInChI=1S/C8H7N3OS/c1-13-7-6-5(3-2-4-9-6)10-8(12)11-7/h2-4H,1H3,(H,10,11,12)
InChIKeyCRCYTFFGYMBWGE-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.04
Rot. Bonds1

About 4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one

4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one (PubChem CID 67119723) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one
PubChem CID67119723
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one
SMILESCSc1nc(=O)[nH]c2cccnc12
InChIInChI=1S/C8H7N3OS/c1-13-7-6-5(3-2-4-9-6)10-8(12)11-7/h2-4H,1H3,(H,10,11,12)
InChIKeyCRCYTFFGYMBWGE-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one?
The IUPAC name of 4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one (CID 67119723) is 4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one?
The canonical SMILES for 4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one is CSc1nc(=O)[nH]c2cccnc12.
What is the InChIKey of 4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one?
The InChIKey is CRCYTFFGYMBWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c1-13-7-6-5(3-2-4-9-6)10-8(12)11-7/h2-4H,1H3,(H,10,11,12).
What are the key properties of 4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one?
4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one has a molecular weight of 193.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1H-pyrido[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 67119723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).