3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H16N4O2 — CID 166692668

IUPAC3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC[C@@H](CNCc2cnc3ccccn3c2=O)N1
InChIInChI=1S/C14H16N4O2/c19-13-5-4-11(17-13)9-15-7-10-8-16-12-3-1-2-6-18(12)14(10)20/h1-3,6,8,11,15H,4-5,7,9H2,(H,17,19)/t11-/m0/s1
InChIKeyUVVDEKOSBWOVFR-NSHDSACASA-N
MW272.31 g/mol
LogP0.06
Rot. Bonds4

About 3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 166692668) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID166692668
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC[C@@H](CNCc2cnc3ccccn3c2=O)N1
InChIInChI=1S/C14H16N4O2/c19-13-5-4-11(17-13)9-15-7-10-8-16-12-3-1-2-6-18(12)14(10)20/h1-3,6,8,11,15H,4-5,7,9H2,(H,17,19)/t11-/m0/s1
InChIKeyUVVDEKOSBWOVFR-NSHDSACASA-N
XLogP0.06
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[(2S)-5-oxopyrrolidin-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

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-6-methyl-4-oxo-
CID 3079284
N-(1-cyclopropylpyrrolidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51100165
9-hydroxy-N-{(3R,5S)-5-[(isopropylamino)carbonyl]-1-methylpyrrolidin-3-yl}-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide (non-preferred name)
CID 72864431
3-[(2S,4S)-4-fluoro-2-(methylaminomethyl)pyrrolidine-1-carbonyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 137840823
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137857358
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 137873516
N-cyclopentyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621652
9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364468
3-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 50951639
6-methyl-N-[(7S,8aS)-2-methyloctahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 56757648
3-[3-(2-Oxoimidazolidin-1-yl)piperidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 56800022
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 56892736

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 166692668) is 3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C1CC[C@@H](CNCc2cnc3ccccn3c2=O)N1.
What is the InChIKey of 3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UVVDEKOSBWOVFR-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13-5-4-11(17-13)9-15-7-10-8-16-12-3-1-2-6-18(12)14(10)20/h1-3,6,8,11,15H,4-5,7,9H2,(H,17,19)/t11-/m0/s1.
What are the key properties of 3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 272.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 166692668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).