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

C6H4F3N3O2 — CID 56956170

IUPAC6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESNc1cc(C(=O)O)nc(C(F)(F)F)n1
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)5-11-2(4(13)14)1-3(10)12-5/h1H,(H,13,14)(H2,10,11,12)
InChIKeyJLTGFYOXHZJVFL-UHFFFAOYSA-N
MW207.11 g/mol
LogP0.78
Rot. Bonds1

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

6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 56956170) has the molecular formula C6H4F3N3O2 and a molecular weight of 207.11 g/mol. Its IUPAC name is 6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID56956170
Molecular FormulaC6H4F3N3O2
Molecular Weight207.11 g/mol
Exact Mass207.03
IUPAC Name6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESNc1cc(C(=O)O)nc(C(F)(F)F)n1
InChIInChI=1S/C6H4F3N3O2/c7-6(8,9)5-11-2(4(13)14)1-3(10)12-5/h1H,(H,13,14)(H2,10,11,12)
InChIKeyJLTGFYOXHZJVFL-UHFFFAOYSA-N
XLogP0.78
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.11
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-bromoethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 174674098
2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771829
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid
CID 130114973
6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 102113105
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 106771825
5-amino-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 82610184
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 106770720
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 106771112
6-amino-2-(4-chlorophenyl)pyrimidine-4-carboxylic acid
CID 46863985
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 56956170) is 6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is Nc1cc(C(=O)O)nc(C(F)(F)F)n1.
What is the InChIKey of 6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is JLTGFYOXHZJVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O2/c7-6(8,9)5-11-2(4(13)14)1-3(10)12-5/h1H,(H,13,14)(H2,10,11,12).
What are the key properties of 6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 207.11 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 56956170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).