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

C12H18N4O2 — CID 136864283

IUPAC4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCN(C)C2=O)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-7(2)11-14-9(6-10(17)15-11)13-8-4-5-16(3)12(8)18/h6-8H,4-5H2,1-3H3,(H2,13,14,15,17)
InChIKeyJNQYFLZUMOZEGY-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.54
Rot. Bonds3

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

4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136864283) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136864283
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2CCN(C)C2=O)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O2/c1-7(2)11-14-9(6-10(17)15-11)13-8-4-5-16(3)12(8)18/h6-8H,4-5H2,1-3H3,(H2,13,14,15,17)
InChIKeyJNQYFLZUMOZEGY-UHFFFAOYSA-N
XLogP0.54
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-acetamido-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 142147356
2-(1-Aminoethyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84687778
1-(2-Methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one
CID 103952535
3-[(1-Methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106258094
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136100501
2-(1-aminoethyl)-4-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136326817
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]acetamide
CID 136663772
N~1~-[2-(4-amino-6-hydroxypyrimidin-2-yl)ethyl]-N~2~-methyl-L-alloisoleucinamide
CID 136665307
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136672456
4-(3-amino-4-methylpyrrolidin-1-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136677202
4-(3-amino-4-methylpyrrolidin-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136677203
4-(3-amino-4-methylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136677207

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136864283) is 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NC2CCN(C)C2=O)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JNQYFLZUMOZEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7(2)11-14-9(6-10(17)15-11)13-8-4-5-16(3)12(8)18/h6-8H,4-5H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.30 g/mol, XLogP of 0.54, 3 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]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136864283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).