6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

C10H12F3N3O2 — CID 58431296

IUPAC6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCCN(C)Cc1cc(C(=O)O)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-3-16(2)5-6-4-7(8(17)18)15-9(14-6)10(11,12)13/h4H,3,5H2,1-2H3,(H,17,18)
InChIKeyDMZPGFWVCINTHA-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.65
Rot. Bonds4

About 6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 58431296) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID58431296
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCCN(C)Cc1cc(C(=O)O)nc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O2/c1-3-16(2)5-6-4-7(8(17)18)15-9(14-6)10(11,12)13/h4H,3,5H2,1-2H3,(H,17,18)
InChIKeyDMZPGFWVCINTHA-UHFFFAOYSA-N
XLogP1.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 58431296) is 6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is CCN(C)Cc1cc(C(=O)O)nc(C(F)(F)F)n1.
What is the InChIKey of 6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is DMZPGFWVCINTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-3-16(2)5-6-4-7(8(17)18)15-9(14-6)10(11,12)13/h4H,3,5H2,1-2H3,(H,17,18).
What are the key properties of 6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 263.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 58431296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).