1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one

C18H19F3N4O — CID 133348967

IUPAC1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESO=C1CC(CNc2nccc(C(F)(F)F)n2)CN1CCc1ccccc1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-6-8-22-17(24-15)23-11-14-10-16(26)25(12-14)9-7-13-4-2-1-3-5-13/h1-6,8,14H,7,9-12H2,(H,22,23,24)
InChIKeyBMDLIHRQEOJBGY-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.00
Rot. Bonds6

About 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one

1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one (PubChem CID 133348967) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
PubChem CID133348967
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one
SMILESO=C1CC(CNc2nccc(C(F)(F)F)n2)CN1CCc1ccccc1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)15-6-8-22-17(24-15)23-11-14-10-16(26)25(12-14)9-7-13-4-2-1-3-5-13/h1-6,8,14H,7,9-12H2,(H,22,23,24)
InChIKeyBMDLIHRQEOJBGY-UHFFFAOYSA-N
XLogP3.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

2-methoxy-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 96540819
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CID 99858269
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63938482
4-[[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 133485924
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
CID 129002408
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
4-[(4-methylpyrimidin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 56891350
(1R,2S,4R)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129434820
(1R,2R,4R)-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378537
3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 163355113
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one (CID 133348967) is 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one is O=C1CC(CNc2nccc(C(F)(F)F)n2)CN1CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
The InChIKey is BMDLIHRQEOJBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)15-6-8-22-17(24-15)23-11-14-10-16(26)25(12-14)9-7-13-4-2-1-3-5-13/h1-6,8,14H,7,9-12H2,(H,22,23,24).
What are the key properties of 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one?
1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one has a molecular weight of 364.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 133348967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).