4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one

C9H12N4O2 — CID 168661169

IUPAC4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNCC1CC(=O)N(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H12N4O2/c10-3-6-1-9(15)13(4-6)7-2-8(14)12-5-11-7/h2,5-6H,1,3-4,10H2,(H,11,12,14)
InChIKeyGMZVEQDZIXWVOF-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.92
Rot. Bonds2

About 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one

4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 168661169) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID168661169
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESNCC1CC(=O)N(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H12N4O2/c10-3-6-1-9(15)13(4-6)7-2-8(14)12-5-11-7/h2,5-6H,1,3-4,10H2,(H,11,12,14)
InChIKeyGMZVEQDZIXWVOF-UHFFFAOYSA-N
XLogP-0.92
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-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

6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3H-quinazolin-4-one
CID 168660692
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
6-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 168661390
4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168659758
4-(aminomethyl)-1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyrrolidin-2-one
CID 168659810
4-(aminomethyl)-1-(1H-pyrrol-2-yl)pyrrolidin-2-one
CID 83529866
4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one
CID 168661037
4-amino-5-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168671926
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrazole-5-carboxylate
CID 168659533
4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one
CID 136977930
4-(aminomethyl)-1-(2-methyl-4-pyridinyl)pyrrolidin-2-one
CID 168660066

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 168661169) is 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one is NCC1CC(=O)N(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is GMZVEQDZIXWVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-3-6-1-9(15)13(4-6)7-2-8(14)12-5-11-7/h2,5-6H,1,3-4,10H2,(H,11,12,14).
What are the key properties of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one?
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 208.22 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 168661169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).