2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C17H24N6O2S — CID 126858194

IUPAC2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(N2CC3CN(S(=O)(=O)c4cn(C(C)C)cn4)CC3C2)ncn1
InChIInChI=1S/C17H24N6O2S/c1-12(2)22-9-17(20-11-22)26(24,25)23-7-14-5-21(6-15(14)8-23)16-4-13(3)18-10-19-16/h4,9-12,14-15H,5-8H2,1-3H3
InChIKeyBEQXORHQODTUDO-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.32
Rot. Bonds4

About 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126858194) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126858194
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1cc(N2CC3CN(S(=O)(=O)c4cn(C(C)C)cn4)CC3C2)ncn1
InChIInChI=1S/C17H24N6O2S/c1-12(2)22-9-17(20-11-22)26(24,25)23-7-14-5-21(6-15(14)8-23)16-4-13(3)18-10-19-16/h4,9-12,14-15H,5-8H2,1-3H3
InChIKeyBEQXORHQODTUDO-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931683
4-(3,5-dimethylpyrazol-1-yl)-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122337639
4-(3-methylpyrazol-1-yl)-6-[4-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyrimidine
CID 122344938
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933102
2-methyl-4-[5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 155976957
4-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]morpholine
CID 126858195
3,5-dimethyl-4-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-1,2-oxazole
CID 126858185
8-[[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]quinoline
CID 126858187
3-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159679
4-bromo-1-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]pyrazole
CID 126901276
(3aR,7aS)-2-[1-(1-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99990220
5-(5-fluoropyrimidin-2-yl)-2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126931694

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126858194) is 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1cc(N2CC3CN(S(=O)(=O)c4cn(C(C)C)cn4)CC3C2)ncn1.
What is the InChIKey of 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is BEQXORHQODTUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-12(2)22-9-17(20-11-22)26(24,25)23-7-14-5-21(6-15(14)8-23)16-4-13(3)18-10-19-16/h4,9-12,14-15H,5-8H2,1-3H3.
What are the key properties of 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 376.49 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyrimidin-4-yl)-5-(1-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126858194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).