1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one

C18H21ClN4O — CID 133460651

IUPAC1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one
SMILESCCc1cc(N(C)C2CCN(c3ccccc3Cl)C2=O)nc(C)n1
InChIInChI=1S/C18H21ClN4O/c1-4-13-11-17(21-12(2)20-13)22(3)16-9-10-23(18(16)24)15-8-6-5-7-14(15)19/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyONIPQBBBQHGRNN-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.24
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one

1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one (PubChem CID 133460651) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one
PubChem CID133460651
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one
SMILESCCc1cc(N(C)C2CCN(c3ccccc3Cl)C2=O)nc(C)n1
InChIInChI=1S/C18H21ClN4O/c1-4-13-11-17(21-12(2)20-13)22(3)16-9-10-23(18(16)24)15-8-6-5-7-14(15)19/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyONIPQBBBQHGRNN-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-chlorophenyl)-3-[methyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]pyrrolidin-2-one
CID 95620506
(3R)-1-(2-chlorophenyl)-3-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95306666
(3R)-1-(2-chlorophenyl)-3-[[(1R)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-methylamino]pyrrolidin-2-one
CID 95331492
1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
1-(2-chlorophenyl)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]pyrrolidin-2-one
CID 56787466
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414900
(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 56787467
(3R)-1-(2-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]pyrrolidin-2-one
CID 95619951
4-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]cyclohexan-1-one
CID 79119537

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one (CID 133460651) is 1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one is CCc1cc(N(C)C2CCN(c3ccccc3Cl)C2=O)nc(C)n1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one?
The InChIKey is ONIPQBBBQHGRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-4-13-11-17(21-12(2)20-13)22(3)16-9-10-23(18(16)24)15-8-6-5-7-14(15)19/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one?
1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one has a molecular weight of 344.85 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[(6-ethyl-2-methylpyrimidin-4-yl)-methylamino]pyrrolidin-2-one is sourced from PubChem (CID 133460651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).