2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C12H13N3O — CID 60671689

IUPAC2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CC2)nc2ccccn12
InChIInChI=1S/C12H13N3O/c16-12-7-10(8-13-9-4-5-9)14-11-3-1-2-6-15(11)12/h1-3,6-7,9,13H,4-5,8H2
InChIKeyYBNXBDUJEICSCD-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.95
Rot. Bonds3

About 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60671689) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60671689
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CC2)nc2ccccn12
InChIInChI=1S/C12H13N3O/c16-12-7-10(8-13-9-4-5-9)14-11-3-1-2-6-15(11)12/h1-3,6-7,9,13H,4-5,8H2
InChIKeyYBNXBDUJEICSCD-UHFFFAOYSA-N
XLogP0.95
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670895
2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 114108156
2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63993733
2-[[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95351895
2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670561
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 80585367
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60688745

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60671689) is 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNC2CC2)nc2ccccn12.
What is the InChIKey of 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YBNXBDUJEICSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-7-10(8-13-9-4-5-9)14-11-3-1-2-6-15(11)12/h1-3,6-7,9,13H,4-5,8H2.
What are the key properties of 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 215.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60671689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).