4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

C15H16F3N5 — CID 167798581

IUPAC4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(N2CCCCC2c2ncccn2)n1
InChIInChI=1S/C15H16F3N5/c1-10-9-12(15(16,17)18)22-14(21-10)23-8-3-2-5-11(23)13-19-6-4-7-20-13/h4,6-7,9,11H,2-3,5,8H2,1H3
InChIKeyJCXHXGMKAKWELG-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.33
Rot. Bonds2

About 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 167798581) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID167798581
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC Name4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(N2CCCCC2c2ncccn2)n1
InChIInChI=1S/C15H16F3N5/c1-10-9-12(15(16,17)18)22-14(21-10)23-8-3-2-5-11(23)13-19-6-4-7-20-13/h4,6-7,9,11H,2-3,5,8H2,1H3
InChIKeyJCXHXGMKAKWELG-UHFFFAOYSA-N
XLogP3.33
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
CID 26872050
5-methyl-3-[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 97074164
(2S)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-pyridin-2-ylpiperidine-1-carboxamide
CID 126444471
1-[(2R)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124973760
1-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 127244749
4-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)-6-(trifluoromethyl)pyrimidine
CID 110259453
4-methyl-2-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 154751126
4,6-dimethyl-2-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]pyrimidine
CID 124970255
2-[2-[4-bromo-3-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidine
CID 90905959
1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 44824534
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 95569651
2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 31536956

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 167798581) is 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(N2CCCCC2c2ncccn2)n1.
What is the InChIKey of 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is JCXHXGMKAKWELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5/c1-10-9-12(15(16,17)18)22-14(21-10)23-8-3-2-5-11(23)13-19-6-4-7-20-13/h4,6-7,9,11H,2-3,5,8H2,1H3.
What are the key properties of 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 323.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167798581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).