[5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol

C8H9F3N2O — CID 126975264

IUPAC[5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol
SMILESCc1cnc(CC(F)(F)F)nc1CO
InChIInChI=1S/C8H9F3N2O/c1-5-3-12-7(2-8(9,10)11)13-6(5)4-14/h3,14H,2,4H2,1H3
InChIKeyKJJYCWIUHRMOBL-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.38
Rot. Bonds2

About [5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol

[5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol (PubChem CID 126975264) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol
PubChem CID126975264
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol
SMILESCc1cnc(CC(F)(F)F)nc1CO
InChIInChI=1S/C8H9F3N2O/c1-5-3-12-7(2-8(9,10)11)13-6(5)4-14/h3,14H,2,4H2,1H3
InChIKeyKJJYCWIUHRMOBL-UHFFFAOYSA-N
XLogP1.38
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylpyrimidin-4-yl)methanol
CID 58143239
4-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-amine
CID 84663024
ethyl 4-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylate
CID 102973367
2,4-diethyl-5-methylpyrimidine
CID 59174285
2-(2,2,2-trifluoroethyl)pyrimidine-4,5-diamine
CID 174763110
N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206730
[2-[(3-chlorophenyl)sulfanylmethyl]-5-methylpyrimidin-4-yl]methanol
CID 114245024
6-(hydroxymethyl)-5-methylpyridin-3-ol;rhodium
CID 58047449
4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine
CID 131115505
(5-methylpyrimidin-2-yl)methanol
CID 23043337
[3-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79601230
2,6-dimethyl-3,5-bis(2,2,2-trifluoroethyl)pyridine
CID 150480476

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol?
The IUPAC name of [5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol (CID 126975264) is [5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol?
The canonical SMILES for [5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol is Cc1cnc(CC(F)(F)F)nc1CO.
What is the InChIKey of [5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol?
The InChIKey is KJJYCWIUHRMOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-3-12-7(2-8(9,10)11)13-6(5)4-14/h3,14H,2,4H2,1H3.
What are the key properties of [5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol?
[5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol has a molecular weight of 206.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 126975264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).