2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid

C9H8F3N3O3 — CID 110836259

IUPAC2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3O3/c1-15(4-6(16)17)7(18)5-2-3-13-8(14-5)9(10,11)12/h2-3H,4H2,1H3,(H,16,17)
InChIKeyGPDPFWMUGBNADB-UHFFFAOYSA-N
MW263.17 g/mol
LogP0.65
Rot. Bonds3

About 2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid

2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid (PubChem CID 110836259) has the molecular formula C9H8F3N3O3 and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid
PubChem CID110836259
Molecular FormulaC9H8F3N3O3
Molecular Weight263.17 g/mol
Exact Mass263.05
IUPAC Name2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N3O3/c1-15(4-6(16)17)7(18)5-2-3-13-8(14-5)9(10,11)12/h2-3H,4H2,1H3,(H,16,17)
InChIKeyGPDPFWMUGBNADB-UHFFFAOYSA-N
XLogP0.65
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Trifluoromethyl)pyrimidine-4-carboxamide
CID 17750126
2-(methylamino)-N-((2-methylpyrimidin-4-yl)methyl)propanamide; trifluoroacetic acid
CID 165896858
Pyrimidine dicarboxamide
CID 68833476
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide
CID 47292928
N-Cyclooctyl-N,2-dimethylpyrimidine-4-carboxamide
CID 71934863
4-[(2-Isopropylpyrimidin-4-yl)carbonyl]-2,2-dimethylmorpholine
CID 91828457
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 97074666
2-isopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide
CID 121501441
N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 126450057
Trifluoromethyl-pyrimidine-4-carboxylic acid methoxy-methyl-amide
CID 53404824
N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide
CID 58044325
N-(trifluoromethyl)pyrimidine-4-carboxamide
CID 69114206

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid (CID 110836259) is 2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid is CN(CC(=O)O)C(=O)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of 2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid?
The InChIKey is GPDPFWMUGBNADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3/c1-15(4-6(16)17)7(18)5-2-3-13-8(14-5)9(10,11)12/h2-3H,4H2,1H3,(H,16,17).
What are the key properties of 2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid?
2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid has a molecular weight of 263.17 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(trifluoromethyl)pyrimidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 110836259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).