pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol

C12H15F3N2O — CID 105083802

IUPACpyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cncnc1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-3-1-8(2-4-10)11(18)9-5-16-7-17-6-9/h5-8,10-11,18H,1-4H2
InChIKeyHELHMMMBKSFQPC-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.88
Rot. Bonds2

About pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol

pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105083802) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Namepyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105083802
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Namepyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cncnc1)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-3-1-8(2-4-10)11(18)9-5-16-7-17-6-9/h5-8,10-11,18H,1-4H2
InChIKeyHELHMMMBKSFQPC-UHFFFAOYSA-N
XLogP2.88
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105083802) is pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol is OC(c1cncnc1)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is HELHMMMBKSFQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-3-1-8(2-4-10)11(18)9-5-16-7-17-6-9/h5-8,10-11,18H,1-4H2.
What are the key properties of pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol?
pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 260.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105083802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).