3,7-dimethylpyrido[1,2-a]pyrimidin-4-one

C10H10N2O — CID 155812076

IUPAC3,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C)c(=O)n2c1
InChIInChI=1S/C10H10N2O/c1-7-3-4-9-11-5-8(2)10(13)12(9)6-7/h3-6H,1-2H3
InChIKeyLJOHUUAWXJRNTN-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.31
Rot. Bonds

About 3,7-dimethylpyrido[1,2-a]pyrimidin-4-one

3,7-dimethylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 155812076) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3,7-dimethylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3,7-dimethylpyrido[1,2-a]pyrimidin-4-one
PubChem CID155812076
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3,7-dimethylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2ncc(C)c(=O)n2c1
InChIInChI=1S/C10H10N2O/c1-7-3-4-9-11-5-8(2)10(13)12(9)6-7/h3-6H,1-2H3
InChIKeyLJOHUUAWXJRNTN-UHFFFAOYSA-N
XLogP1.31
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3,7-dimethylpyrido[1,2-a]pyrimidin-4-one (CID 155812076) is 3,7-dimethylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3,7-dimethylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2ncc(C)c(=O)n2c1.
What is the InChIKey of 3,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LJOHUUAWXJRNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-3-4-9-11-5-8(2)10(13)12(9)6-7/h3-6H,1-2H3.
What are the key properties of 3,7-dimethylpyrido[1,2-a]pyrimidin-4-one?
3,7-dimethylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 174.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 155812076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).