pyrido[1,2-a]pyrimidin-4-one;hydrochloride

C8H7ClN2O — CID 69322290

IUPACpyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1ccnc2ccccn12
InChIInChI=1S/C8H6N2O.ClH/c11-8-4-5-9-7-3-1-2-6-10(7)8;/h1-6H;1H
InChIKeyFMIHQBGKVOHFJK-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.12
Rot. Bonds

About pyrido[1,2-a]pyrimidin-4-one;hydrochloride

pyrido[1,2-a]pyrimidin-4-one;hydrochloride (PubChem CID 69322290) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is pyrido[1,2-a]pyrimidin-4-one;hydrochloride.

Molecular Properties

Compound Namepyrido[1,2-a]pyrimidin-4-one;hydrochloride
PubChem CID69322290
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Namepyrido[1,2-a]pyrimidin-4-one;hydrochloride
SMILESCl.O=c1ccnc2ccccn12
InChIInChI=1S/C8H6N2O.ClH/c11-8-4-5-9-7-3-1-2-6-10(7)8;/h1-6H;1H
InChIKeyFMIHQBGKVOHFJK-UHFFFAOYSA-N
XLogP1.12
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze pyrido[1,2-a]pyrimidin-4-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The IUPAC name of pyrido[1,2-a]pyrimidin-4-one;hydrochloride (CID 69322290) is pyrido[1,2-a]pyrimidin-4-one;hydrochloride.
What is the SMILES notation for pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The canonical SMILES for pyrido[1,2-a]pyrimidin-4-one;hydrochloride is Cl.O=c1ccnc2ccccn12.
What is the InChIKey of pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
The InChIKey is FMIHQBGKVOHFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.ClH/c11-8-4-5-9-7-3-1-2-6-10(7)8;/h1-6H;1H.
What are the key properties of pyrido[1,2-a]pyrimidin-4-one;hydrochloride?
pyrido[1,2-a]pyrimidin-4-one;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[1,2-a]pyrimidin-4-one;hydrochloride is sourced from PubChem (CID 69322290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).