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

C13H17N3O2 — CID 83177884

IUPAC2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(CCO)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H17N3O2/c1-10(5-7-17)14-9-11-8-13(18)16-6-3-2-4-12(16)15-11/h2-4,6,8,10,14,17H,5,7,9H2,1H3
InChIKeyZUUQJBPYGYCABA-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.56
Rot. Bonds5

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

2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 83177884) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID83177884
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(CCO)NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H17N3O2/c1-10(5-7-17)14-9-11-8-13(18)16-6-3-2-4-12(16)15-11/h2-4,6,8,10,14,17H,5,7,9H2,1H3
InChIKeyZUUQJBPYGYCABA-UHFFFAOYSA-N
XLogP0.56
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-hydroxybutan-2-ylamino)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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 83177884) is 2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is CC(CCO)NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZUUQJBPYGYCABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10(5-7-17)14-9-11-8-13(18)16-6-3-2-4-12(16)15-11/h2-4,6,8,10,14,17H,5,7,9H2,1H3.
What are the key properties of 2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 247.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83177884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).