2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C16H22N4O — CID 60673502

IUPAC2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCCCN2CCCC2)nc2ccccn12
InChIInChI=1S/C16H22N4O/c21-16-12-14(18-15-6-1-2-11-20(15)16)13-17-7-5-10-19-8-3-4-9-19/h1-2,6,11-12,17H,3-5,7-10,13H2
InChIKeySZXNQVOFXQJYNK-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.27
Rot. Bonds6

About 2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60673502) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60673502
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCCCN2CCCC2)nc2ccccn12
InChIInChI=1S/C16H22N4O/c21-16-12-14(18-15-6-1-2-11-20(15)16)13-17-7-5-10-19-8-3-4-9-19/h1-2,6,11-12,17H,3-5,7-10,13H2
InChIKeySZXNQVOFXQJYNK-UHFFFAOYSA-N
XLogP1.27
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(3-pyrrolidin-1-ylpropylamino)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-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60673502) is 2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNCCCN2CCCC2)nc2ccccn12.
What is the InChIKey of 2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SZXNQVOFXQJYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-16-12-14(18-15-6-1-2-11-20(15)16)13-17-7-5-10-19-8-3-4-9-19/h1-2,6,11-12,17H,3-5,7-10,13H2.
What are the key properties of 2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60673502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).