[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone

C23H26N6O — CID 67116264

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nccn4C)CC3C2)n1
InChIInChI=1S/C23H26N6O/c1-15-10-16(2)26-23(25-15)29-13-17-11-28(12-18(17)14-29)22(30)20-7-5-4-6-19(20)21-24-8-9-27(21)3/h4-10,17-18H,11-14H2,1-3H3
InChIKeyFSJYWJFWTBGKNF-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.70
Rot. Bonds3

About [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone (PubChem CID 67116264) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone
PubChem CID67116264
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nccn4C)CC3C2)n1
InChIInChI=1S/C23H26N6O/c1-15-10-16(2)26-23(25-15)29-13-17-11-28(12-18(17)14-29)22(30)20-7-5-4-6-19(20)21-24-8-9-27(21)3/h4-10,17-18H,11-14H2,1-3H3
InChIKeyFSJYWJFWTBGKNF-UHFFFAOYSA-N
XLogP2.70
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone (CID 67116264) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4nccn4C)CC3C2)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone?
The InChIKey is FSJYWJFWTBGKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-15-10-16(2)26-23(25-15)29-13-17-11-28(12-18(17)14-29)22(30)20-7-5-4-6-19(20)21-24-8-9-27(21)3/h4-10,17-18H,11-14H2,1-3H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone has a molecular weight of 402.50 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(1-methylimidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 67116264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).