1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one

C21H18F3N5O — CID 133353995

IUPAC1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCc1ccc(N2CCC(Nc3cc(C(F)(F)F)nc(-c4cccnc4)n3)C2=O)cc1
InChIInChI=1S/C21H18F3N5O/c1-13-4-6-15(7-5-13)29-10-8-16(20(29)30)26-18-11-17(21(22,23)24)27-19(28-18)14-3-2-9-25-12-14/h2-7,9,11-12,16H,8,10H2,1H3,(H,26,27,28)
InChIKeyMLTMEKHJEYJJMS-UHFFFAOYSA-N
MW413.40 g/mol
LogP4.08
Rot. Bonds4

About 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one

1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 133353995) has the molecular formula C21H18F3N5O and a molecular weight of 413.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID133353995
Molecular FormulaC21H18F3N5O
Molecular Weight413.40 g/mol
Exact Mass413.15
IUPAC Name1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCc1ccc(N2CCC(Nc3cc(C(F)(F)F)nc(-c4cccnc4)n3)C2=O)cc1
InChIInChI=1S/C21H18F3N5O/c1-13-4-6-15(7-5-13)29-10-8-16(20(29)30)26-18-11-17(21(22,23)24)27-19(28-18)14-3-2-9-25-12-14/h2-7,9,11-12,16H,8,10H2,1H3,(H,26,27,28)
InChIKeyMLTMEKHJEYJJMS-UHFFFAOYSA-N
XLogP4.08
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one with MolForge

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Related Compounds

3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353967
(3R)-1-methyl-3-[[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318486
(3S)-1-methyl-3-[[2-[[(3S)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318487
methyl 2,2,3-trimethyl-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butanoate
CID 133350083
1-(3,4-dichlorophenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133438994
3-[(6-ethoxypyrimidin-4-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133484160
N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 127597643
N-[2-(3,4-difluorophenyl)oxolan-3-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133435345
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133325575
N-(3,5-dimethoxyphenyl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 21304988
3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 124588987
2-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]-1,3-thiazole-5-sulfonamide
CID 133353927

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one (CID 133353995) is 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one is Cc1ccc(N2CCC(Nc3cc(C(F)(F)F)nc(-c4cccnc4)n3)C2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is MLTMEKHJEYJJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O/c1-13-4-6-15(7-5-13)29-10-8-16(20(29)30)26-18-11-17(21(22,23)24)27-19(28-18)14-3-2-9-25-12-14/h2-7,9,11-12,16H,8,10H2,1H3,(H,26,27,28).
What are the key properties of 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 413.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133353995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).