6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

C7H6F3N3O2 — CID 129191855

IUPAC6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O2/c1-11-4-2-3(5(14)15)12-6(13-4)7(8,9)10/h2H,1H3,(H,14,15)(H,11,12,13)
InChIKeyIPRUALMKCSPBDQ-UHFFFAOYSA-N
MW221.14 g/mol
LogP1.24
Rot. Bonds2

About 6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 129191855) has the molecular formula C7H6F3N3O2 and a molecular weight of 221.14 g/mol. Its IUPAC name is 6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID129191855
Molecular FormulaC7H6F3N3O2
Molecular Weight221.14 g/mol
Exact Mass221.04
IUPAC Name6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(C(F)(F)F)n1
InChIInChI=1S/C7H6F3N3O2/c1-11-4-2-3(5(14)15)12-6(13-4)7(8,9)10/h2H,1H3,(H,14,15)(H,11,12,13)
InChIKeyIPRUALMKCSPBDQ-UHFFFAOYSA-N
XLogP1.24
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 129191855) is 6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is CNc1cc(C(=O)O)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is IPRUALMKCSPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2/c1-11-4-2-3(5(14)15)12-6(13-4)7(8,9)10/h2H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 221.14 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 129191855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).