4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C13H20N4 — CID 66242717

IUPAC4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1Cc1ccncn1
InChIInChI=1S/C13H20N4/c1-13(2)12-6-15-5-10(12)7-17(13)8-11-3-4-14-9-16-11/h3-4,9-10,12,15H,5-8H2,1-2H3
InChIKeyGRZJZBNNUCOMQE-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.91
Rot. Bonds2

About 4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole

4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 66242717) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID66242717
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCC1(C)C2CNCC2CN1Cc1ccncn1
InChIInChI=1S/C13H20N4/c1-13(2)12-6-15-5-10(12)7-17(13)8-11-3-4-14-9-16-11/h3-4,9-10,12,15H,5-8H2,1-2H3
InChIKeyGRZJZBNNUCOMQE-UHFFFAOYSA-N
XLogP0.91
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 66242717) is 4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is CC1(C)C2CNCC2CN1Cc1ccncn1.
What is the InChIKey of 4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is GRZJZBNNUCOMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-13(2)12-6-15-5-10(12)7-17(13)8-11-3-4-14-9-16-11/h3-4,9-10,12,15H,5-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 232.33 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-(pyrimidin-4-ylmethyl)-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66242717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).