[2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone

C14H12F3N3O2 — CID 44513943

IUPAC[2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone
SMILESCN(C)c1ncc(C(=O)c2ccccc2O)c(C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3O2/c1-20(2)13-18-7-9(12(19-13)14(15,16)17)11(22)8-5-3-4-6-10(8)21/h3-7,21H,1-2H3
InChIKeyJZSZJKDWFGVDJE-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.50
Rot. Bonds3

About [2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone

[2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone (PubChem CID 44513943) has the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol. Its IUPAC name is [2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone
PubChem CID44513943
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
Exact Mass311.09
IUPAC Name[2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone
SMILESCN(C)c1ncc(C(=O)c2ccccc2O)c(C(F)(F)F)n1
InChIInChI=1S/C14H12F3N3O2/c1-20(2)13-18-7-9(12(19-13)14(15,16)17)11(22)8-5-3-4-6-10(8)21/h3-7,21H,1-2H3
InChIKeyJZSZJKDWFGVDJE-UHFFFAOYSA-N
XLogP2.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone (CID 44513943) is [2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone is CN(C)c1ncc(C(=O)c2ccccc2O)c(C(F)(F)F)n1.
What is the InChIKey of [2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is JZSZJKDWFGVDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2/c1-20(2)13-18-7-9(12(19-13)14(15,16)17)11(22)8-5-3-4-6-10(8)21/h3-7,21H,1-2H3.
What are the key properties of [2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone?
[2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 311.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-(trifluoromethyl)pyrimidin-5-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 44513943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).