2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid

C9H10F3N3O2 — CID 107553694

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid
SMILESCCN(CC(F)(F)F)c1nccc(C(=O)O)n1
InChIInChI=1S/C9H10F3N3O2/c1-2-15(5-9(10,11)12)8-13-4-3-6(14-8)7(16)17/h3-4H,2,5H2,1H3,(H,16,17)
InChIKeyWHTDALBKGXWWBJ-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.56
Rot. Bonds4

About 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid

2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid (PubChem CID 107553694) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid
PubChem CID107553694
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid
SMILESCCN(CC(F)(F)F)c1nccc(C(=O)O)n1
InChIInChI=1S/C9H10F3N3O2/c1-2-15(5-9(10,11)12)8-13-4-3-6(14-8)7(16)17/h3-4H,2,5H2,1H3,(H,16,17)
InChIKeyWHTDALBKGXWWBJ-UHFFFAOYSA-N
XLogP1.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55009203
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carbonitrile
CID 107544133
1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 78995484
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83184172
azepan-1-yl-[2-[benzyl(ethyl)amino]pyrimidin-4-yl]methanone
CID 109306711
5-[ethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087770
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,3-difluorobenzoic acid
CID 107935629
[2-[benzyl(ethyl)amino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302213
N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
CID 109310804
4-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 82785995
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-fluorobenzoic acid
CID 79522128
2-chloro-4-[ethyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 62946083

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid (CID 107553694) is 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid is CCN(CC(F)(F)F)c1nccc(C(=O)O)n1.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is WHTDALBKGXWWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-2-15(5-9(10,11)12)8-13-4-3-6(14-8)7(16)17/h3-4H,2,5H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid?
2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).