3-aminopyrido[1,2-a]pyrimidin-4-one

C8H7N3O — CID 3514055

IUPAC3-aminopyrido[1,2-a]pyrimidin-4-one
SMILESNc1cnc2ccccn2c1=O
InChIInChI=1S/C8H7N3O/c9-6-5-10-7-3-1-2-4-11(7)8(6)12/h1-5H,9H2
InChIKeyXHAZBSUDUIKGRH-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.28
Rot. Bonds

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

3-aminopyrido[1,2-a]pyrimidin-4-one (PubChem CID 3514055) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-aminopyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-aminopyrido[1,2-a]pyrimidin-4-one
PubChem CID3514055
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-aminopyrido[1,2-a]pyrimidin-4-one
SMILESNc1cnc2ccccn2c1=O
InChIInChI=1S/C8H7N3O/c9-6-5-10-7-3-1-2-4-11(7)8(6)12/h1-5H,9H2
InChIKeyXHAZBSUDUIKGRH-UHFFFAOYSA-N
XLogP0.28
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-aminopyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-aminopyrido[1,2-a]pyrimidin-4-one (CID 3514055) is 3-aminopyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-aminopyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-aminopyrido[1,2-a]pyrimidin-4-one is Nc1cnc2ccccn2c1=O.
What is the InChIKey of 3-aminopyrido[1,2-a]pyrimidin-4-one?
The InChIKey is XHAZBSUDUIKGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-6-5-10-7-3-1-2-4-11(7)8(6)12/h1-5H,9H2.
What are the key properties of 3-aminopyrido[1,2-a]pyrimidin-4-one?
3-aminopyrido[1,2-a]pyrimidin-4-one has a molecular weight of 161.16 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 3514055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).