4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid

C8H4F6N2O2 — CID 83401347

IUPAC4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C(F)(F)F)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H4F6N2O2/c1-2-3(5(17)18)4(7(9,10)11)16-6(15-2)8(12,13)14/h1H3,(H,17,18)
InChIKeyGTRIEEZDMCBUHF-UHFFFAOYSA-N
MW274.12 g/mol
LogP2.52
Rot. Bonds1

About 4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid

4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 83401347) has the molecular formula C8H4F6N2O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID83401347
Molecular FormulaC8H4F6N2O2
Molecular Weight274.12 g/mol
Exact Mass274.02
IUPAC Name4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(C(F)(F)F)nc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C8H4F6N2O2/c1-2-3(5(17)18)4(7(9,10)11)16-6(15-2)8(12,13)14/h1H3,(H,17,18)
InChIKeyGTRIEEZDMCBUHF-UHFFFAOYSA-N
XLogP2.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(trifluoromethyl)pyridine-2,3,4,5-tetracarboxylic acid
CID 139991265
ethyl 4-chloro-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylate
CID 14387086
4,6-dimethyl-2-(methylamino)pyrimidine-5-carboxylic acid
CID 62746638
5-amino-2,6-dimethyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 82389859
2-methyl-4,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 163198807
4-ethoxy-2,6-bis(trifluoromethyl)pyridine-3,5-dicarboxylic acid
CID 56606193
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 19754695
6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 178173665
5-(dimethylaminomethylideneamino)-4-ethyl-6-methyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 174519349
5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine
CID 15395099
3-methyl-5-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 2775645
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid (CID 83401347) is 4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid is Cc1nc(C(F)(F)F)nc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is GTRIEEZDMCBUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6N2O2/c1-2-3(5(17)18)4(7(9,10)11)16-6(15-2)8(12,13)14/h1H3,(H,17,18).
What are the key properties of 4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid?
4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 274.12 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(trifluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83401347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).