5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

C9H9F3N2O3 — CID 150713798

IUPAC5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCC(C)(O)c1cnc(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C9H9F3N2O3/c1-8(2,17)4-3-13-7(9(10,11)12)14-5(4)6(15)16/h3,17H,1-2H3,(H,15,16)
InChIKeyJOLCETFOGDEIMG-UHFFFAOYSA-N
MW250.18 g/mol
LogP1.42
Rot. Bonds2

About 5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 150713798) has the molecular formula C9H9F3N2O3 and a molecular weight of 250.18 g/mol. Its IUPAC name is 5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID150713798
Molecular FormulaC9H9F3N2O3
Molecular Weight250.18 g/mol
Exact Mass250.06
IUPAC Name5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCC(C)(O)c1cnc(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C9H9F3N2O3/c1-8(2,17)4-3-13-7(9(10,11)12)14-5(4)6(15)16/h3,17H,1-2H3,(H,15,16)
InChIKeyJOLCETFOGDEIMG-UHFFFAOYSA-N
XLogP1.42
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 150713798) is 5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is CC(C)(O)c1cnc(C(F)(F)F)nc1C(=O)O.
What is the InChIKey of 5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is JOLCETFOGDEIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3/c1-8(2,17)4-3-13-7(9(10,11)12)14-5(4)6(15)16/h3,17H,1-2H3,(H,15,16).
What are the key properties of 5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 250.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 150713798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).