3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid

C10H9F3N4O3 — CID 67103550

IUPAC3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid
SMILESCN1C(=O)N(c2nccc(C(F)(F)F)n2)CC1C(=O)O
InChIInChI=1S/C10H9F3N4O3/c1-16-5(7(18)19)4-17(9(16)20)8-14-3-2-6(15-8)10(11,12)13/h2-3,5H,4H2,1H3,(H,18,19)
InChIKeyPGLQIOAAOOFUCV-UHFFFAOYSA-N
MW290.20 g/mol
LogP0.82
Rot. Bonds2

About 3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid

3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid (PubChem CID 67103550) has the molecular formula C10H9F3N4O3 and a molecular weight of 290.20 g/mol. Its IUPAC name is 3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid
PubChem CID67103550
Molecular FormulaC10H9F3N4O3
Molecular Weight290.20 g/mol
Exact Mass290.06
IUPAC Name3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid
SMILESCN1C(=O)N(c2nccc(C(F)(F)F)n2)CC1C(=O)O
InChIInChI=1S/C10H9F3N4O3/c1-16-5(7(18)19)4-17(9(16)20)8-14-3-2-6(15-8)10(11,12)13/h2-3,5H,4H2,1H3,(H,18,19)
InChIKeyPGLQIOAAOOFUCV-UHFFFAOYSA-N
XLogP0.82
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56708327
(2S)-3-hydroxy-N-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 99778363
3-(2-Methoxyethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-4-one
CID 121537372
3-Methyl-2-oxo-1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-imidazolidinecarboxylic acid hydrochloride salt
CID 67103401
3-Methyl-2-oxo-1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-imidazolidinecarboxylic acid
CID 67103402
1,1-Dimethylethyl 3-methyl-2-oxo-1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-imidazolidinecarboxylate
CID 67103411
1,1-Dimethylethyl 3-methyl-2-oxo-1-[6-(trifluoromethyl)-4-pyrimidinyl]-4-imidazolidinecarboxylate
CID 67103623
2-Acetyl-2-(methylamino)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 69365071
2-Acetyl-2-(ethylamino)-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 69366955
1-Tert-butyl-3-methyl-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-1-ium-4-carboxylate
CID 87548613
3-Methyl-1-(2-methylpropyl)-2-oxo-1-[6-(trifluoromethyl)pyrimidin-4-yl]imidazolidin-1-ium-4-carboxylate
CID 87548615
1-Tert-butyl-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-1-ium-4-carboxylate
CID 87548877

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid (CID 67103550) is 3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid is CN1C(=O)N(c2nccc(C(F)(F)F)n2)CC1C(=O)O.
What is the InChIKey of 3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid?
The InChIKey is PGLQIOAAOOFUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O3/c1-16-5(7(18)19)4-17(9(16)20)8-14-3-2-6(15-8)10(11,12)13/h2-3,5H,4H2,1H3,(H,18,19).
What are the key properties of 3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid?
3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid has a molecular weight of 290.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxylic acid is sourced from PubChem (CID 67103550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).