3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione

C11H12F3N5O2 — CID 114565360

IUPAC3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCNc1nc(NC2CCC(=O)NC2=O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O2/c1-15-10-17-6(11(12,13)14)4-7(18-10)16-5-2-3-8(20)19-9(5)21/h4-5H,2-3H2,1H3,(H,19,20,21)(H2,15,16,17,18)
InChIKeyZZRWTCQALGRHRA-UHFFFAOYSA-N
MW303.24 g/mol
LogP0.75
Rot. Bonds3

About 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione

3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione (PubChem CID 114565360) has the molecular formula C11H12F3N5O2 and a molecular weight of 303.24 g/mol. Its IUPAC name is 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione
PubChem CID114565360
Molecular FormulaC11H12F3N5O2
Molecular Weight303.24 g/mol
Exact Mass303.09
IUPAC Name3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCNc1nc(NC2CCC(=O)NC2=O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H12F3N5O2/c1-15-10-17-6(11(12,13)14)4-7(18-10)16-5-2-3-8(20)19-9(5)21/h4-5H,2-3H2,1H3,(H,19,20,21)(H2,15,16,17,18)
InChIKeyZZRWTCQALGRHRA-UHFFFAOYSA-N
XLogP0.75
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione (CID 114565360) is 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione is CNc1nc(NC2CCC(=O)NC2=O)cc(C(F)(F)F)n1.
What is the InChIKey of 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The InChIKey is ZZRWTCQALGRHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O2/c1-15-10-17-6(11(12,13)14)4-7(18-10)16-5-2-3-8(20)19-9(5)21/h4-5H,2-3H2,1H3,(H,19,20,21)(H2,15,16,17,18).
What are the key properties of 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione?
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione has a molecular weight of 303.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 114565360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).