4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one

C8H6ClN3O — CID 174272394

IUPAC4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one
SMILESCc1nc(Cl)c2[nH]ccc(=O)c2n1
InChIInChI=1S/C8H6ClN3O/c1-4-11-6-5(13)2-3-10-7(6)8(9)12-4/h2-3H,1H3,(H,10,13)
InChIKeyBXPDHQIBVOYAHA-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.28
Rot. Bonds

About 4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one

4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one (PubChem CID 174272394) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one
PubChem CID174272394
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one
SMILESCc1nc(Cl)c2[nH]ccc(=O)c2n1
InChIInChI=1S/C8H6ClN3O/c1-4-11-6-5(13)2-3-10-7(6)8(9)12-4/h2-3H,1H3,(H,10,13)
InChIKeyBXPDHQIBVOYAHA-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one?
The IUPAC name of 4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one (CID 174272394) is 4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one.
What is the SMILES notation for 4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one?
The canonical SMILES for 4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one is Cc1nc(Cl)c2[nH]ccc(=O)c2n1.
What is the InChIKey of 4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one?
The InChIKey is BXPDHQIBVOYAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-4-11-6-5(13)2-3-10-7(6)8(9)12-4/h2-3H,1H3,(H,10,13).
What are the key properties of 4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one?
4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one has a molecular weight of 195.61 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5H-pyrido[3,2-d]pyrimidin-8-one is sourced from PubChem (CID 174272394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).