2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one

C18H19F3N4O — CID 141309160

IUPAC2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one
SMILESCc1ccc(Nc2nccc(C(F)(F)F)n2)cc1N1CCC(=O)CC1C
InChIInChI=1S/C18H19F3N4O/c1-11-3-4-13(10-15(11)25-8-6-14(26)9-12(25)2)23-17-22-7-5-16(24-17)18(19,20)21/h3-5,7,10,12H,6,8-9H2,1-2H3,(H,22,23,24)
InChIKeyRGDBNVTWAMCDPG-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.11
Rot. Bonds3

About 2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one

2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one (PubChem CID 141309160) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one
PubChem CID141309160
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one
SMILESCc1ccc(Nc2nccc(C(F)(F)F)n2)cc1N1CCC(=O)CC1C
InChIInChI=1S/C18H19F3N4O/c1-11-3-4-13(10-15(11)25-8-6-14(26)9-12(25)2)23-17-22-7-5-16(24-17)18(19,20)21/h3-5,7,10,12H,6,8-9H2,1-2H3,(H,22,23,24)
InChIKeyRGDBNVTWAMCDPG-UHFFFAOYSA-N
XLogP4.11
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-oxopiperidin-3-yl) 2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoate
CID 154868325
2-methyl-6-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]-4H-1,4-benzoxazin-3-one
CID 42943694
2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 36574929
2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 107793354
2-bromo-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 115296111
N-(4-bromo-3-methoxyphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133340861
(3-methylpiperazin-1-yl)-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 166250479
(11bR)-N-[4-(trifluoromethyl)pyrimidin-2-yl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-amine
CID 118912043
1-methyl-5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridin-2-one
CID 118092635
4-[[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]amino]pyrrolidin-2-one
CID 118092802
1-methyl-5-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]piperidin-2-one
CID 67433891
N-(4-tert-butyl-2-methylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 138636966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one?
The IUPAC name of 2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one (CID 141309160) is 2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one.
What is the SMILES notation for 2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one?
The canonical SMILES for 2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one is Cc1ccc(Nc2nccc(C(F)(F)F)n2)cc1N1CCC(=O)CC1C.
What is the InChIKey of 2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one?
The InChIKey is RGDBNVTWAMCDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-11-3-4-13(10-15(11)25-8-6-14(26)9-12(25)2)23-17-22-7-5-16(24-17)18(19,20)21/h3-5,7,10,12H,6,8-9H2,1-2H3,(H,22,23,24).
What are the key properties of 2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one?
2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one has a molecular weight of 364.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-one is sourced from PubChem (CID 141309160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).