4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid

C14H11F3N2O2 — CID 115069883

IUPAC4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccccc2C(F)(F)F)nc(C)c1C(=O)O
InChIInChI=1S/C14H11F3N2O2/c1-7-11(13(20)21)8(2)19-12(18-7)9-5-3-4-6-10(9)14(15,16)17/h3-6H,1-2H3,(H,20,21)
InChIKeyDPTSMLHELGKZKK-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.48
Rot. Bonds2

About 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid

4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid (PubChem CID 115069883) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
PubChem CID115069883
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Name4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ccccc2C(F)(F)F)nc(C)c1C(=O)O
InChIInChI=1S/C14H11F3N2O2/c1-7-11(13(20)21)8(2)19-12(18-7)9-5-3-4-6-10(9)14(15,16)17/h3-6H,1-2H3,(H,20,21)
InChIKeyDPTSMLHELGKZKK-UHFFFAOYSA-N
XLogP3.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[2-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxylic acid
CID 56636800
5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62202485
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
6-methyl-5-nitro-2-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 71179155
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057770
5-iodo-N,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66295542
5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid
CID 175474580
4-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]benzoic acid
CID 11493928
2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide
CID 2730673
3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134626264
2-methyl-4,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 163198807
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid (CID 115069883) is 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid is Cc1nc(-c2ccccc2C(F)(F)F)nc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid?
The InChIKey is DPTSMLHELGKZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-7-11(13(20)21)8(2)19-12(18-7)9-5-3-4-6-10(9)14(15,16)17/h3-6H,1-2H3,(H,20,21).
What are the key properties of 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid?
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115069883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).