2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine

C12H15F3N2O — CID 177057431

IUPAC2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
SMILESCc1nccc(OC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H15F3N2O/c1-8-16-7-6-11(17-8)18-10-4-2-9(3-5-10)12(13,14)15/h6-7,9-10H,2-5H2,1H3
InChIKeyQQAMSOPRKREWDG-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.28
Rot. Bonds2

About 2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine

2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine (PubChem CID 177057431) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
PubChem CID177057431
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
SMILESCc1nccc(OC2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H15F3N2O/c1-8-16-7-6-11(17-8)18-10-4-2-9(3-5-10)12(13,14)15/h6-7,9-10H,2-5H2,1H3
InChIKeyQQAMSOPRKREWDG-UHFFFAOYSA-N
XLogP3.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
CID 176690803
[4-(2-methylpyrimidin-4-yl)oxycyclohexyl] methanesulfonate
CID 139342597
[6-[4-(trifluoromethyl)cyclohexyl]oxy-2-pyridinyl]boronic acid
CID 177245533
N-[(2-methylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 62748227
4-cyclopropyloxypyrimidin-2-amine
CID 163297972
2-cyclopentyl-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162402
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
1-[4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 121162378
2-(4-ethoxyphenoxy)-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162479
4-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine
CID 169314957
ethane;5-fluoro-2,4-dimethyl-6-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine
CID 176690988
(4-iodophenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
The IUPAC name of 2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine (CID 177057431) is 2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
The canonical SMILES for 2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine is Cc1nccc(OC2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
The InChIKey is QQAMSOPRKREWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-16-7-6-11(17-8)18-10-4-2-9(3-5-10)12(13,14)15/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine?
2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine has a molecular weight of 260.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(trifluoromethyl)cyclohexyl]oxypyrimidine is sourced from PubChem (CID 177057431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).