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

C21H26N8 — CID 126933117

IUPAC2-[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
SMILESCc1cc(C)nc(N2CC3CN(c4cc(-n5nc(C)cc5C)ncn4)CC3C2)n1
InChIInChI=1S/C21H26N8/c1-13-5-14(2)25-21(24-13)28-10-17-8-27(9-18(17)11-28)19-7-20(23-12-22-19)29-16(4)6-15(3)26-29/h5-7,12,17-18H,8-11H2,1-4H3
InChIKeyQUVVVEBXYNNURC-UHFFFAOYSA-N
MW390.50 g/mol
LogP2.26
Rot. Bonds3

About 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

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 (PubChem CID 126933117) has the molecular formula C21H26N8 and a molecular weight of 390.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID126933117
Molecular FormulaC21H26N8
Molecular Weight390.50 g/mol
Exact Mass390.23
IUPAC Name2-[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
SMILESCc1cc(C)nc(N2CC3CN(c4cc(-n5nc(C)cc5C)ncn4)CC3C2)n1
InChIInChI=1S/C21H26N8/c1-13-5-14(2)25-21(24-13)28-10-17-8-27(9-18(17)11-28)19-7-20(23-12-22-19)29-16(4)6-15(3)26-29/h5-7,12,17-18H,8-11H2,1-4H3
InChIKeyQUVVVEBXYNNURC-UHFFFAOYSA-N
XLogP2.26
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)nc(N2CC3CN(c4cc(-n5nc(C)cc5C)ncn4)CC3C2)n1.
What is the InChIKey of 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?
The InChIKey is QUVVVEBXYNNURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8/c1-13-5-14(2)25-21(24-13)28-10-17-8-27(9-18(17)11-28)19-7-20(23-12-22-19)29-16(4)6-15(3)26-29/h5-7,12,17-18H,8-11H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 390.50 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126933117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).