4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

C9H12N4O2 — CID 136864282

IUPAC4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2cc(=O)[nH]cn2)C1=O
InChIInChI=1S/C9H12N4O2/c1-13-3-2-6(9(13)15)12-7-4-8(14)11-5-10-7/h4-6H,2-3H2,1H3,(H2,10,11,12,14)
InChIKeyFHCVHZNZTNJVAP-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.59
Rot. Bonds2

About 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one

4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136864282) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136864282
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCN1CCC(Nc2cc(=O)[nH]cn2)C1=O
InChIInChI=1S/C9H12N4O2/c1-13-3-2-6(9(13)15)12-7-4-8(14)11-5-10-7/h4-6H,2-3H2,1H3,(H2,10,11,12,14)
InChIKeyFHCVHZNZTNJVAP-UHFFFAOYSA-N
XLogP-0.59
TPSA78.09 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 ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Aminoisocytosine-N-methylpyrrolidin-2-one (1/1)
CID 139062115
6-Chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114582073
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one hydrochloride
CID 136562356
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
4-(3-amino-4-methylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136677210
2-methyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679991
5-amino-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679993
5-iodo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679997
4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136679999
2-ethyl-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680001
N-ethyl-N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136713575
4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731508

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136864282) is 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is CN1CCC(Nc2cc(=O)[nH]cn2)C1=O.
What is the InChIKey of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FHCVHZNZTNJVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-13-3-2-6(9(13)15)12-7-4-8(14)11-5-10-7/h4-6H,2-3H2,1H3,(H2,10,11,12,14).
What are the key properties of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one?
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 208.22 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136864282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).