1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

C17H18F2N4O — CID 167799903

IUPAC1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1nc(C)cc(NC2CC(=O)N(c3c(F)cccc3F)C2)n1
InChIInChI=1S/C17H18F2N4O/c1-3-14-20-10(2)7-15(22-14)21-11-8-16(24)23(9-11)17-12(18)5-4-6-13(17)19/h4-7,11H,3,8-9H2,1-2H3,(H,20,21,22)
InChIKeyGLNHPLGIEQSRDI-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.84
Rot. Bonds4

About 1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one

1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (PubChem CID 167799903) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
PubChem CID167799903
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
SMILESCCc1nc(C)cc(NC2CC(=O)N(c3c(F)cccc3F)C2)n1
InChIInChI=1S/C17H18F2N4O/c1-3-14-20-10(2)7-15(22-14)21-11-8-16(24)23(9-11)17-12(18)5-4-6-13(17)19/h4-7,11H,3,8-9H2,1-2H3,(H,20,21,22)
InChIKeyGLNHPLGIEQSRDI-UHFFFAOYSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 122138555
1-(2,6-difluorophenyl)-4-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 126772380
2-ethyl-6-methyl-N-piperidin-4-ylpyrimidin-4-amine
CID 94075343
3-chloro-N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 138998057
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 56894935
1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50976714
(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95138091
N-[(3R)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 124615577
N-[(3S)-1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-4-carboxamide
CID 124615578
(4R)-4-[(2-amino-6-methylpyrimidin-4-yl)amino]-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 95730273
N-[1-(2,6-difluorophenyl)-5-oxopyrrolidin-3-yl]-2-(2,5-dioxopyrrolidin-3-yl)acetamide
CID 166256591
1-(2-fluoro-6-methylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670683

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one (CID 167799903) is 1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is CCc1nc(C)cc(NC2CC(=O)N(c3c(F)cccc3F)C2)n1.
What is the InChIKey of 1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
The InChIKey is GLNHPLGIEQSRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-3-14-20-10(2)7-15(22-14)21-11-8-16(24)23(9-11)17-12(18)5-4-6-13(17)19/h4-7,11H,3,8-9H2,1-2H3,(H,20,21,22).
What are the key properties of 1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one?
1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one has a molecular weight of 332.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-4-[(2-ethyl-6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 167799903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).