5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C18H26N6O — CID 126933126

IUPAC5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOCCN1CC2CN(c3cc(-n4nc(C)cc4C)ncn3)CC2C1
InChIInChI=1S/C18H26N6O/c1-13-6-14(2)24(21-13)18-7-17(19-12-20-18)23-10-15-8-22(4-5-25-3)9-16(15)11-23/h6-7,12,15-16H,4-5,8-11H2,1-3H3
InChIKeyLWIAIVSBKAPLMD-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.29
Rot. Bonds5

About 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126933126) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126933126
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCOCCN1CC2CN(c3cc(-n4nc(C)cc4C)ncn3)CC2C1
InChIInChI=1S/C18H26N6O/c1-13-6-14(2)24(21-13)18-7-17(19-12-20-18)23-10-15-8-22(4-5-25-3)9-16(15)11-23/h6-7,12,15-16H,4-5,8-11H2,1-3H3
InChIKeyLWIAIVSBKAPLMD-UHFFFAOYSA-N
XLogP1.29
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

4-[2-[5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]morpholine
CID 126933129
1-[2-[5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]pyrrolidin-2-one
CID 126933238
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933117
5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933230
5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-[(6-methylpyrazin-2-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933185
2-[(2,5-difluorophenyl)methyl]-5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933134
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
4-[2-[5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-1,4-oxazepan-3-one
CID 126933234
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933106
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 163346814
2-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 163346859
4-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidine
CID 155974136

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126933126) is 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is COCCN1CC2CN(c3cc(-n4nc(C)cc4C)ncn3)CC2C1.
What is the InChIKey of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is LWIAIVSBKAPLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13-6-14(2)24(21-13)18-7-17(19-12-20-18)23-10-15-8-22(4-5-25-3)9-16(15)11-23/h6-7,12,15-16H,4-5,8-11H2,1-3H3.
What are the key properties of 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 342.45 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(2-methoxyethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126933126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).