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

C19H28N6O2S — CID 126933358

IUPAC2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1ncnc(N2CC3CN(S(=O)(=O)c4cn(C)c(C(C)C)n4)CC3C2)c1C
InChIInChI=1S/C19H28N6O2S/c1-12(2)18-22-17(10-23(18)5)28(26,27)25-8-15-6-24(7-16(15)9-25)19-13(3)14(4)20-11-21-19/h10-12,15-16H,6-9H2,1-5H3
InChIKeyLGLDLJLZUFSIRI-UHFFFAOYSA-N
MW404.54 g/mol
LogP1.71
Rot. Bonds4

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

2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126933358) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126933358
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC Name2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1ncnc(N2CC3CN(S(=O)(=O)c4cn(C)c(C(C)C)n4)CC3C2)c1C
InChIInChI=1S/C19H28N6O2S/c1-12(2)18-22-17(10-23(18)5)28(26,27)25-8-15-6-24(7-16(15)9-25)19-13(3)14(4)20-11-21-19/h10-12,15-16H,6-9H2,1-5H3
InChIKeyLGLDLJLZUFSIRI-UHFFFAOYSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-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
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933353
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933437
4-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]sulfonyl-1-methyl-2-propan-2-ylimidazole
CID 126901280
5-methyl-1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 122106242
1-[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893366
4-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 122337413
3-(4-methylpiperazin-1-yl)-6-[4-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperazin-1-yl]pyridazine
CID 122336564
1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-4-(oxolan-3-yl)-1,4-diazepane
CID 134160851
4,5-dimethyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
CID 164632949
5-(5,6-dimethylpyrimidin-4-yl)-2-pyrimidin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933577
6-methyl-2-[[1-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
CID 126863917

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126933358) is 2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1ncnc(N2CC3CN(S(=O)(=O)c4cn(C)c(C(C)C)n4)CC3C2)c1C.
What is the InChIKey of 2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is LGLDLJLZUFSIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-12(2)18-22-17(10-23(18)5)28(26,27)25-8-15-6-24(7-16(15)9-25)19-13(3)14(4)20-11-21-19/h10-12,15-16H,6-9H2,1-5H3.
What are the key properties of 2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 404.54 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126933358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).