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

C23H24F4N6 — CID 123288191

IUPAC2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(N2CC3CN(Cc4cc(F)ccc4C4N=CCC=N4)CC3C2)nc(C(F)(F)F)n1
InChIInChI=1S/C23H24F4N6/c1-14-7-20(31-22(30-14)23(25,26)27)33-12-16-10-32(11-17(16)13-33)9-15-8-18(24)3-4-19(15)21-28-5-2-6-29-21/h3-8,16-17,21H,2,9-13H2,1H3
InChIKeyWREKLTFQGIHOHQ-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.06
Rot. Bonds4

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

2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 123288191) has the molecular formula C23H24F4N6 and a molecular weight of 460.48 g/mol. Its IUPAC name is 2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID123288191
Molecular FormulaC23H24F4N6
Molecular Weight460.48 g/mol
Exact Mass460.20
IUPAC Name2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(N2CC3CN(Cc4cc(F)ccc4C4N=CCC=N4)CC3C2)nc(C(F)(F)F)n1
InChIInChI=1S/C23H24F4N6/c1-14-7-20(31-22(30-14)23(25,26)27)33-12-16-10-32(11-17(16)13-33)9-15-8-18(24)3-4-19(15)21-28-5-2-6-29-21/h3-8,16-17,21H,2,9-13H2,1H3
InChIKeyWREKLTFQGIHOHQ-UHFFFAOYSA-N
XLogP4.06
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-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

Related Compounds

2-Methyl-4-phenyl-6-(1-pyrrolidinyl)pyrimidine
CID 2057538
4-(4-Fluorophenyl)-2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 3235676
(3aR,6aS)-2-[4-methyl-6-(2H-tetrazol-5-yl)pyrimidin-2-yl]-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 122181976
(3aS,6aS)-1-(4-(2,5-difluorophenyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412200
4-(4-Methylpiperazin-1-yl)-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 3234023
2-(4-Methylpiperidin-1-yl)-4-phenyl-6-(trifluoromethyl)pyrimidine
CID 3238445
6-(Difluoromethyl)-4-(4-methylphenyl)-2-pyrrolidinylpyrimidine
CID 2988872
(3aS,6aS)-5-(4-(2,5-difluorophenyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
CID 44412149
4-[4-Fluoro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperazin-1-YL)pyrimidin-2-amine
CID 74250453
(3aR,6aS)-2-[(3-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97453042
1-[2-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine
CID 110117198
13-Fluoro-4,6-diphenyl-1,3,5-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,8,10(15),11,13-heptaene
CID 132575232

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 123288191) is 2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cc(N2CC3CN(Cc4cc(F)ccc4C4N=CCC=N4)CC3C2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is WREKLTFQGIHOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N6/c1-14-7-20(31-22(30-14)23(25,26)27)33-12-16-10-32(11-17(16)13-33)9-15-8-18(24)3-4-19(15)21-28-5-2-6-29-21/h3-8,16-17,21H,2,9-13H2,1H3.
What are the key properties of 2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 460.48 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dihydropyrimidin-2-yl)-5-fluorophenyl]methyl]-5-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 123288191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).