6-methylpyrido[4,3-d]pyrimidin-5-one

C8H7N3O — CID 130723333

IUPAC6-methylpyrido[4,3-d]pyrimidin-5-one
SMILESCn1ccc2ncncc2c1=O
InChIInChI=1S/C8H7N3O/c1-11-3-2-7-6(8(11)12)4-9-5-10-7/h2-5H,1H3
InChIKeyYQGRCZPKFRCOBU-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.33
Rot. Bonds

About 6-methylpyrido[4,3-d]pyrimidin-5-one

6-methylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 130723333) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-methylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-methylpyrido[4,3-d]pyrimidin-5-one
PubChem CID130723333
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name6-methylpyrido[4,3-d]pyrimidin-5-one
SMILESCn1ccc2ncncc2c1=O
InChIInChI=1S/C8H7N3O/c1-11-3-2-7-6(8(11)12)4-9-5-10-7/h2-5H,1H3
InChIKeyYQGRCZPKFRCOBU-UHFFFAOYSA-N
XLogP0.33
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-methylpyrido[4,3-d]pyrimidin-5-one (CID 130723333) is 6-methylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-methylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-methylpyrido[4,3-d]pyrimidin-5-one is Cn1ccc2ncncc2c1=O.
What is the InChIKey of 6-methylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is YQGRCZPKFRCOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-11-3-2-7-6(8(11)12)4-9-5-10-7/h2-5H,1H3.
What are the key properties of 6-methylpyrido[4,3-d]pyrimidin-5-one?
6-methylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 161.16 g/mol, XLogP of 0.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 130723333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).