4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid

C10H11F3N4O3 — CID 137147971

IUPAC4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C10H11F3N4O3/c11-10(12,13)6-5-7(18)15-8(14-6)16-1-3-17(4-2-16)9(19)20/h5H,1-4H2,(H,19,20)(H,14,15,18)
InChIKeyONIVDHLKUPJJBM-UHFFFAOYSA-N
MW292.22 g/mol
LogP0.59
Rot. Bonds1

About 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid

4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid (PubChem CID 137147971) has the molecular formula C10H11F3N4O3 and a molecular weight of 292.22 g/mol. Its IUPAC name is 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid
PubChem CID137147971
Molecular FormulaC10H11F3N4O3
Molecular Weight292.22 g/mol
Exact Mass292.08
IUPAC Name4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1
InChIInChI=1S/C10H11F3N4O3/c11-10(12,13)6-5-7(18)15-8(14-6)16-1-3-17(4-2-16)9(19)20/h5H,1-4H2,(H,19,20)(H,14,15,18)
InChIKeyONIVDHLKUPJJBM-UHFFFAOYSA-N
XLogP0.59
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-ylamino)-1-piperidin-1-yl-ethanone
CID 136048721
2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135644916
6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-1H-pyrimidine-2,4-dione;2,2,2-trifluoroacetic acid
CID 25170097
6-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 129079855
3-(2,2,2-trifluoroethylamino)-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 129079856
2-Piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 136103243
tert-butyl 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylate
CID 137146354
3-Methyl-2-piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 97619979
2-(4-ethylpiperazin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135762395
4-(difluoromethyl)-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 136103235
N-[2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]ethyl]acetamide
CID 136350743
2-[[2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]acetyl]amino]acetic acid
CID 136388281

Frequently Asked Questions

What is the IUPAC name of 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid (CID 137147971) is 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2nc(C(F)(F)F)cc(=O)[nH]2)CC1.
What is the InChIKey of 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid?
The InChIKey is ONIVDHLKUPJJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O3/c11-10(12,13)6-5-7(18)15-8(14-6)16-1-3-17(4-2-16)9(19)20/h5H,1-4H2,(H,19,20)(H,14,15,18).
What are the key properties of 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid?
4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid has a molecular weight of 292.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 137147971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).