(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol

C13H11F3N2O — CID 115527988

IUPAC(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCc1nccc(C(O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H11F3N2O/c1-8-17-7-6-11(18-8)12(19)9-4-2-3-5-10(9)13(14,15)16/h2-7,12,19H,1H3
InChIKeyBXIGNRMEBBWFIH-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.89
Rot. Bonds2

About (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol

(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 115527988) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID115527988
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCc1nccc(C(O)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H11F3N2O/c1-8-17-7-6-11(18-8)12(19)9-4-2-3-5-10(9)13(14,15)16/h2-7,12,19H,1H3
InChIKeyBXIGNRMEBBWFIH-UHFFFAOYSA-N
XLogP2.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(2-methylpyrimidin-4-yl)methanol
CID 115527894
(2-methylpyrimidin-4-yl)-quinolin-8-ylmethanol
CID 115527954
(6-methoxy-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methanol
CID 103348149
(2-methylpyrimidin-4-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115527943
isoquinolin-5-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527932
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079
furan-3-yl-(2-methylpyrimidin-4-yl)methanol
CID 115528038
(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115530155
(2,4-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 61101273
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol (CID 115527988) is (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol is Cc1nccc(C(O)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is BXIGNRMEBBWFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-8-17-7-6-11(18-8)12(19)9-4-2-3-5-10(9)13(14,15)16/h2-7,12,19H,1H3.
What are the key properties of (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol?
(2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 268.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-4-yl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 115527988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).