1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

C17H20N4O — CID 146090182

IUPAC1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1nccc(N(C)C2CCN(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C17H20N4O/c1-13-18-10-8-16(19-13)20(2)15-9-11-21(17(15)22)12-14-6-4-3-5-7-14/h3-8,10,15H,9,11-12H2,1-2H3
InChIKeyGNERYEQHPRBVAH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.02
Rot. Bonds4

About 1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 146090182) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID146090182
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCc1nccc(N(C)C2CCN(Cc3ccccc3)C2=O)n1
InChIInChI=1S/C17H20N4O/c1-13-18-10-8-16(19-13)20(2)15-9-11-21(17(15)22)12-14-6-4-3-5-7-14/h3-8,10,15H,9,11-12H2,1-2H3
InChIKeyGNERYEQHPRBVAH-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[methyl-[(4-pyridin-4-ylphenyl)methyl]amino]pyrrolidin-2-one
CID 166349170
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
N-methyl-N-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 154582643
(3S)-3-[(3-fluoro-2-pyridinyl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 97325616
(3S)-3-[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]-1-phenylpyrrolidin-2-one
CID 97218042
(3R)-1-benzyl-3-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]pyrrolidin-2-one
CID 99838086
(3S)-1-benzyl-3-[methyl-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]amino]pyrrolidin-2-one
CID 124830325
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one
CID 133460651
1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one
CID 166257296

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 146090182) is 1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is Cc1nccc(N(C)C2CCN(Cc3ccccc3)C2=O)n1.
What is the InChIKey of 1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is GNERYEQHPRBVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-18-10-8-16(19-13)20(2)15-9-11-21(17(15)22)12-14-6-4-3-5-7-14/h3-8,10,15H,9,11-12H2,1-2H3.
What are the key properties of 1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 296.37 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[methyl-(2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 146090182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).