4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C24H24F3N5O — CID 42666927

IUPAC4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1cccc(-c2nc(C)cc(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)n2)c1
InChIInChI=1S/C24H24F3N5O/c1-16-4-3-5-18(14-16)22-28-17(2)15-21(30-22)31-10-12-32(13-11-31)23(33)29-20-8-6-19(7-9-20)24(25,26)27/h3-9,14-15H,10-13H2,1-2H3,(H,29,33)
InChIKeyQGPYHBKMLCURLA-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.13
Rot. Bonds3

About 4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 42666927) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is 4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID42666927
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC Name4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1cccc(-c2nc(C)cc(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)n2)c1
InChIInChI=1S/C24H24F3N5O/c1-16-4-3-5-18(14-16)22-28-17(2)15-21(30-22)31-10-12-32(13-11-31)23(33)29-20-8-6-19(7-9-20)24(25,26)27/h3-9,14-15H,10-13H2,1-2H3,(H,29,33)
InChIKeyQGPYHBKMLCURLA-UHFFFAOYSA-N
XLogP5.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazine-1-carboxamide
CID 42802813
N-(3-chlorophenyl)-4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 42802773
[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 42666881
[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 42802388
4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 50944722
4-(3-acetylphenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114133
(3-chlorophenyl)-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802457
4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 3703846
(2-methoxyphenyl)-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42802624
4-[2-(ethylamino)-6-methylpyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 70702726
4-[5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 24718661
4-methyl-2-[4-(trifluoromethyl)phenyl]-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 46131996

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 42666927) is 4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is Cc1cccc(-c2nc(C)cc(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)n2)c1.
What is the InChIKey of 4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is QGPYHBKMLCURLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O/c1-16-4-3-5-18(14-16)22-28-17(2)15-21(30-22)31-10-12-32(13-11-31)23(33)29-20-8-6-19(7-9-20)24(25,26)27/h3-9,14-15H,10-13H2,1-2H3,(H,29,33).
What are the key properties of 4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 42666927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).