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

C17H22N6O — CID 126933338

IUPAC[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC3CN(c4ncnc(C)c4C)CC3C2)n[nH]1
InChIInChI=1S/C17H22N6O/c1-10-4-15(21-20-10)17(24)23-7-13-5-22(6-14(13)8-23)16-11(2)12(3)18-9-19-16/h4,9,13-14H,5-8H2,1-3H3,(H,20,21)
InChIKeyHHDWNRJJHJMPGK-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.33
Rot. Bonds2

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

[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 126933338) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID126933338
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC3CN(c4ncnc(C)c4C)CC3C2)n[nH]1
InChIInChI=1S/C17H22N6O/c1-10-4-15(21-20-10)17(24)23-7-13-5-22(6-14(13)8-23)16-11(2)12(3)18-9-19-16/h4,9,13-14H,5-8H2,1-3H3,(H,20,21)
InChIKeyHHDWNRJJHJMPGK-UHFFFAOYSA-N
XLogP1.33
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[6-(dimethylamino)pyridazin-3-yl]-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 126933336
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 118774572
[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 155836066
2,3-dihydro-1,4-benzodioxin-5-yl-[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 126933296
2-[1-(5-methyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681018
[(3aR,6aR)-5-(8-fluoroquinazolin-4-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 154849856
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
5-(5,6-dimethylpyrimidin-4-yl)-2-pyrimidin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933577
[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 126933874
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759

Frequently Asked Questions

What is the IUPAC name of [2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 126933338) is [2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CC3CN(c4ncnc(C)c4C)CC3C2)n[nH]1.
What is the InChIKey of [2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is HHDWNRJJHJMPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-10-4-15(21-20-10)17(24)23-7-13-5-22(6-14(13)8-23)16-11(2)12(3)18-9-19-16/h4,9,13-14H,5-8H2,1-3H3,(H,20,21).
What are the key properties of [2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 126933338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).