[2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol

C14H13F3N2O — CID 56710226

IUPAC[2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol
SMILESCc1nc(C(F)(F)F)nc(-c2ccccc2CO)c1C
InChIInChI=1S/C14H13F3N2O/c1-8-9(2)18-13(14(15,16)17)19-12(8)11-6-4-3-5-10(11)7-20/h3-6,20H,7H2,1-2H3
InChIKeyLRMOPBSREUXVCL-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.27
Rot. Bonds2

About [2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol

[2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol (PubChem CID 56710226) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is [2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol
PubChem CID56710226
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name[2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol
SMILESCc1nc(C(F)(F)F)nc(-c2ccccc2CO)c1C
InChIInChI=1S/C14H13F3N2O/c1-8-9(2)18-13(14(15,16)17)19-12(8)11-6-4-3-5-10(11)7-20/h3-6,20H,7H2,1-2H3
InChIKeyLRMOPBSREUXVCL-UHFFFAOYSA-N
XLogP3.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol?
The IUPAC name of [2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol (CID 56710226) is [2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol.
What is the SMILES notation for [2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol?
The canonical SMILES for [2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol is Cc1nc(C(F)(F)F)nc(-c2ccccc2CO)c1C.
What is the InChIKey of [2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol?
The InChIKey is LRMOPBSREUXVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-8-9(2)18-13(14(15,16)17)19-12(8)11-6-4-3-5-10(11)7-20/h3-6,20H,7H2,1-2H3.
What are the key properties of [2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol?
[2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol has a molecular weight of 282.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methanol is sourced from PubChem (CID 56710226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).