6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one

C8H6ClN3O — CID 165149924

IUPAC6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2ccc(Cl)nc2c1=O
InChIInChI=1S/C8H6ClN3O/c1-12-4-10-5-2-3-6(9)11-7(5)8(12)13/h2-4H,1H3
InChIKeyIAPPMXQRBSVARM-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.98
Rot. Bonds

About 6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one

6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 165149924) has the molecular formula C8H6ClN3O and a molecular weight of 195.61 g/mol. Its IUPAC name is 6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one
PubChem CID165149924
Molecular FormulaC8H6ClN3O
Molecular Weight195.61 g/mol
Exact Mass195.02
IUPAC Name6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCn1cnc2ccc(Cl)nc2c1=O
InChIInChI=1S/C8H6ClN3O/c1-12-4-10-5-2-3-6(9)11-7(5)8(12)13/h2-4H,1H3
InChIKeyIAPPMXQRBSVARM-UHFFFAOYSA-N
XLogP0.98
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one (CID 165149924) is 6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one is Cn1cnc2ccc(Cl)nc2c1=O.
What is the InChIKey of 6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is IAPPMXQRBSVARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O/c1-12-4-10-5-2-3-6(9)11-7(5)8(12)13/h2-4H,1H3.
What are the key properties of 6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one?
6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 195.61 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 165149924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).