2-methyl-4-(trifluoromethyl)pyrimidin-5-ol

C6H5F3N2O — CID 57374635

IUPAC2-methyl-4-(trifluoromethyl)pyrimidin-5-ol
SMILESCc1ncc(O)c(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2O/c1-3-10-2-4(12)5(11-3)6(7,8)9/h2,12H,1H3
InChIKeyJBGNUKOYJOSYJL-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.51
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)pyrimidin-5-ol

2-methyl-4-(trifluoromethyl)pyrimidin-5-ol (PubChem CID 57374635) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)pyrimidin-5-ol.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)pyrimidin-5-ol
PubChem CID57374635
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2-methyl-4-(trifluoromethyl)pyrimidin-5-ol
SMILESCc1ncc(O)c(C(F)(F)F)n1
InChIInChI=1S/C6H5F3N2O/c1-3-10-2-4(12)5(11-3)6(7,8)9/h2,12H,1H3
InChIKeyJBGNUKOYJOSYJL-UHFFFAOYSA-N
XLogP1.51
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)pyrimidin-5-ol?
The IUPAC name of 2-methyl-4-(trifluoromethyl)pyrimidin-5-ol (CID 57374635) is 2-methyl-4-(trifluoromethyl)pyrimidin-5-ol.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)pyrimidin-5-ol?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)pyrimidin-5-ol is Cc1ncc(O)c(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)pyrimidin-5-ol?
The InChIKey is JBGNUKOYJOSYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c1-3-10-2-4(12)5(11-3)6(7,8)9/h2,12H,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)pyrimidin-5-ol?
2-methyl-4-(trifluoromethyl)pyrimidin-5-ol has a molecular weight of 178.11 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)pyrimidin-5-ol is sourced from PubChem (CID 57374635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).