2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C9H13N3O — CID 105438074

IUPAC2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cc(=O)n2c(n1)CCCC2
InChIInChI=1S/C9H13N3O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h5H,1-4,6,10H2
InChIKeyVFIYYVLKOFAUAQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.04
Rot. Bonds1

About 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 105438074) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID105438074
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cc(=O)n2c(n1)CCCC2
InChIInChI=1S/C9H13N3O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h5H,1-4,6,10H2
InChIKeyVFIYYVLKOFAUAQ-UHFFFAOYSA-N
XLogP0.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 105438074) is 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is NCc1cc(=O)n2c(n1)CCCC2.
What is the InChIKey of 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VFIYYVLKOFAUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h5H,1-4,6,10H2.
What are the key properties of 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 105438074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).