[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone

C18H19F3N4O — CID 109363719

IUPAC[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(Nc2cccc(C(F)(F)F)c2)cc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C18H19F3N4O/c1-12-22-15(17(26)25-8-3-2-4-9-25)11-16(23-12)24-14-7-5-6-13(10-14)18(19,20)21/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,23,24)
InChIKeyNWOQVCPPXMASBE-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.17
Rot. Bonds3

About [2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone

[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109363719) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is [2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109363719
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC Name[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nc(Nc2cccc(C(F)(F)F)c2)cc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C18H19F3N4O/c1-12-22-15(17(26)25-8-3-2-4-9-25)11-16(23-12)24-14-7-5-6-13(10-14)18(19,20)21/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,23,24)
InChIKeyNWOQVCPPXMASBE-UHFFFAOYSA-N
XLogP4.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[6-(azepane-1-carbonyl)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112847815
[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 75538843
[6-[2-chloro-5-(trifluoromethyl)anilino]-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363729
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]pyrazin-2-yl]methanone
CID 109273635
azepan-1-yl-[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847771
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660
2-methyl-6-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112868540
azepan-1-yl-[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847776
azepan-1-yl-[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847774
N-(3-methoxypropyl)-2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365282
2-methyl-6-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112877048
[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367097

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109363719) is [2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone is Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(C(=O)N2CCCCC2)n1.
What is the InChIKey of [2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is NWOQVCPPXMASBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-12-22-15(17(26)25-8-3-2-4-9-25)11-16(23-12)24-14-7-5-6-13(10-14)18(19,20)21/h5-7,10-11H,2-4,8-9H2,1H3,(H,22,23,24).
What are the key properties of [2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
[2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 364.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109363719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).