4,7-dimethylpyrido[3,4-d]pyrimidin-6-one

C9H9N3O — CID 167049519

IUPAC4,7-dimethylpyrido[3,4-d]pyrimidin-6-one
SMILESCc1ncnc2cn(C)c(=O)cc12
InChIInChI=1S/C9H9N3O/c1-6-7-3-9(13)12(2)4-8(7)11-5-10-6/h3-5H,1-2H3
InChIKeyLIKULJBVFVJKJA-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.64
Rot. Bonds

About 4,7-dimethylpyrido[3,4-d]pyrimidin-6-one

4,7-dimethylpyrido[3,4-d]pyrimidin-6-one (PubChem CID 167049519) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4,7-dimethylpyrido[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name4,7-dimethylpyrido[3,4-d]pyrimidin-6-one
PubChem CID167049519
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4,7-dimethylpyrido[3,4-d]pyrimidin-6-one
SMILESCc1ncnc2cn(C)c(=O)cc12
InChIInChI=1S/C9H9N3O/c1-6-7-3-9(13)12(2)4-8(7)11-5-10-6/h3-5H,1-2H3
InChIKeyLIKULJBVFVJKJA-UHFFFAOYSA-N
XLogP0.64
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylpyrido[3,4-d]pyrimidin-6-one?
The IUPAC name of 4,7-dimethylpyrido[3,4-d]pyrimidin-6-one (CID 167049519) is 4,7-dimethylpyrido[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 4,7-dimethylpyrido[3,4-d]pyrimidin-6-one?
The canonical SMILES for 4,7-dimethylpyrido[3,4-d]pyrimidin-6-one is Cc1ncnc2cn(C)c(=O)cc12.
What is the InChIKey of 4,7-dimethylpyrido[3,4-d]pyrimidin-6-one?
The InChIKey is LIKULJBVFVJKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-7-3-9(13)12(2)4-8(7)11-5-10-6/h3-5H,1-2H3.
What are the key properties of 4,7-dimethylpyrido[3,4-d]pyrimidin-6-one?
4,7-dimethylpyrido[3,4-d]pyrimidin-6-one has a molecular weight of 175.19 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylpyrido[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 167049519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).