4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C13H17F3N4 — CID 66241959

IUPAC4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4/c1-12(2)9-6-17-5-8(9)7-20(12)11-18-4-3-10(19-11)13(14,15)16/h3-4,8-9,17H,5-7H2,1-2H3
InChIKeyXWKJDCLFZNEKIS-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.93
Rot. Bonds1

About 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66241959) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66241959
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4/c1-12(2)9-6-17-5-8(9)7-20(12)11-18-4-3-10(19-11)13(14,15)16/h3-4,8-9,17H,5-7H2,1-2H3
InChIKeyXWKJDCLFZNEKIS-UHFFFAOYSA-N
XLogP1.93
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole 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 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66241959) is 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is XWKJDCLFZNEKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-12(2)9-6-17-5-8(9)7-20(12)11-18-4-3-10(19-11)13(14,15)16/h3-4,8-9,17H,5-7H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 286.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[4-(trifluoromethyl)pyrimidin-2-yl]-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66241959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).