2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H22N4O — CID 60672566

IUPAC2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCCC1CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-2-19-8-5-6-14(19)12-17-11-13-10-16(21)20-9-4-3-7-15(20)18-13/h3-4,7,9-10,14,17H,2,5-6,8,11-12H2,1H3
InChIKeyJVFDGBNYZVZXQL-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.27
Rot. Bonds5

About 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60672566) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60672566
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCN1CCCC1CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-2-19-8-5-6-14(19)12-17-11-13-10-16(21)20-9-4-3-7-15(20)18-13/h3-4,7,9-10,14,17H,2,5-6,8,11-12H2,1H3
InChIKeyJVFDGBNYZVZXQL-UHFFFAOYSA-N
XLogP1.27
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Analyze 2-[[(1-ethylpyrrolidin-2-yl)methylamino]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-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 80585367
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60673235
2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18087389
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95341499
2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670895
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 82881777
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 114108156
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60672566) is 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCN1CCCC1CNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JVFDGBNYZVZXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-19-8-5-6-14(19)12-17-11-13-10-16(21)20-9-4-3-7-15(20)18-13/h3-4,7,9-10,14,17H,2,5-6,8,11-12H2,1H3.
What are the key properties of 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60672566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).