[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone

C21H24N8O — CID 70980595

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)ccc4-n4ccnn4)CC3C2)n1
InChIInChI=1S/C21H24N8O/c1-13-4-5-18(29-7-6-22-26-29)19(23-13)20(30)27-9-16-11-28(12-17(16)10-27)21-24-14(2)8-15(3)25-21/h4-8,16-17H,9-12H2,1-3H3
InChIKeyMGWFDKNBENCSCW-UHFFFAOYSA-N
MW404.48 g/mol
LogP1.59
Rot. Bonds3

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

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone (PubChem CID 70980595) has the molecular formula C21H24N8O and a molecular weight of 404.48 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]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone
PubChem CID70980595
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)ccc4-n4ccnn4)CC3C2)n1
InChIInChI=1S/C21H24N8O/c1-13-4-5-18(29-7-6-22-26-29)19(23-13)20(30)27-9-16-11-28(12-17(16)10-27)21-24-14(2)8-15(3)25-21/h4-8,16-17H,9-12H2,1-3H3
InChIKeyMGWFDKNBENCSCW-UHFFFAOYSA-N
XLogP1.59
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 67116208
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 70981814
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 52917537
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-fluorophenyl)methanone
CID 52917242
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-hydroxy-2-(triazol-2-yl)phenyl]methanone
CID 70981223
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-phenylphenyl)methanone
CID 67116901
[2-(4,6-dimethyl(213C,1,3-15N2)pyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
CID 130416230
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-methylnaphthalen-1-yl)methanone
CID 52917162
(2,3-dimethoxyphenyl)-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 67116213
(1-bromonaphthalen-2-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 67116806
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[1-(triazol-2-yl)naphthalen-2-yl]methanone
CID 67117206
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-methoxy-3-(2H-triazol-4-yl)-2-pyridinyl]methanone
CID 70981815

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]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone (CID 70980595) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]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]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4nc(C)ccc4-n4ccnn4)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]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone?
The InChIKey is MGWFDKNBENCSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-13-4-5-18(29-7-6-22-26-29)19(23-13)20(30)27-9-16-11-28(12-17(16)10-27)21-24-14(2)8-15(3)25-21/h4-8,16-17H,9-12H2,1-3H3.
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]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone has a molecular weight of 404.48 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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]-[6-methyl-3-(triazol-1-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 70980595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).