3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one

C9H9N3O — CID 1359737

IUPAC3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1N
InChIInChI=1S/C9H9N3O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H,10H2,1H3
InChIKeyWBHKXRIOKZBAAJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.59
Rot. Bonds

About 3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one

3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 1359737) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID1359737
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1N
InChIInChI=1S/C9H9N3O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H,10H2,1H3
InChIKeyWBHKXRIOKZBAAJ-UHFFFAOYSA-N
XLogP0.59
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 1359737) is 3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1N.
What is the InChIKey of 3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WBHKXRIOKZBAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-8(10)9(13)12-5-3-2-4-7(12)11-6/h2-5H,10H2,1H3.
What are the key properties of 3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 175.19 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 1359737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).