(2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid

C12H16F3N5O2 — CID 170154809

IUPAC(2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2ncc(C(F)(F)F)c(N)n2)C[C@H](C)N1C(=O)O
InChIInChI=1S/C12H16F3N5O2/c1-6-4-19(5-7(2)20(6)11(21)22)10-17-3-8(9(16)18-10)12(13,14)15/h3,6-7H,4-5H2,1-2H3,(H,21,22)(H2,16,17,18)/t6-,7+
InChIKeyIZXBFHXKQXRXSJ-KNVOCYPGSA-N
MW319.29 g/mol
LogP1.65
Rot. Bonds1

About (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid

(2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid (PubChem CID 170154809) has the molecular formula C12H16F3N5O2 and a molecular weight of 319.29 g/mol. Its IUPAC name is (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
PubChem CID170154809
Molecular FormulaC12H16F3N5O2
Molecular Weight319.29 g/mol
Exact Mass319.13
IUPAC Name(2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2ncc(C(F)(F)F)c(N)n2)C[C@H](C)N1C(=O)O
InChIInChI=1S/C12H16F3N5O2/c1-6-4-19(5-7(2)20(6)11(21)22)10-17-3-8(9(16)18-10)12(13,14)15/h3,6-7H,4-5H2,1-2H3,(H,21,22)(H2,16,17,18)/t6-,7+
InChIKeyIZXBFHXKQXRXSJ-KNVOCYPGSA-N
XLogP1.65
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-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

(2R,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154976
(2R,6S)-2,6-dimethyl-4-[5-(trifluoromethoxy)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 170155745
(2R,6S)-4-[5-(difluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154808
(2S,6R)-4-(5-cyclopropylpyrimidin-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 170155927
(2S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 162370387
(2S)-2-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 174238746
2-[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]ethyl (2S,6S)-2,6-dimethyl-4-(5-methylpyrimidin-2-yl)piperazine-1-carboxylate
CID 167442796
(2R,6R)-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
CID 166704686
4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 175516280
1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002097
(2R,6R)-4-(5-fluoro-1,3-benzothiazol-2-yl)-2,6-dimethylpiperazine-1-carboxylic acid
CID 170154807
ethyl 1-[4-[(3R)-3-hydroxy-2-oxopyrrolidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate
CID 175268525

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid (CID 170154809) is (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid is C[C@@H]1CN(c2ncc(C(F)(F)F)c(N)n2)C[C@H](C)N1C(=O)O.
What is the InChIKey of (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid?
The InChIKey is IZXBFHXKQXRXSJ-KNVOCYPGSA-N. The full InChI is InChI=1S/C12H16F3N5O2/c1-6-4-19(5-7(2)20(6)11(21)22)10-17-3-8(9(16)18-10)12(13,14)15/h3,6-7H,4-5H2,1-2H3,(H,21,22)(H2,16,17,18)/t6-,7+.
What are the key properties of (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid?
(2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid has a molecular weight of 319.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[4-amino-5-(trifluoromethyl)pyrimidin-2-yl]-2,6-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 170154809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).