4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine

C13H21N5 — CID 24994952

IUPAC4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine
SMILESCc1nc(N)nc(N2C[C@H]3CN(C)C[C@H]3C2)c1C
InChIInChI=1S/C13H21N5/c1-8-9(2)15-13(14)16-12(8)18-6-10-4-17(3)5-11(10)7-18/h10-11H,4-7H2,1-3H3,(H2,14,15,16)/t10-,11+
InChIKeyCSPLXIRIQIUNSM-PHIMTYICSA-N
MW247.35 g/mol
LogP0.67
Rot. Bonds1

About 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine

4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine (PubChem CID 24994952) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine
PubChem CID24994952
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine
SMILESCc1nc(N)nc(N2C[C@H]3CN(C)C[C@H]3C2)c1C
InChIInChI=1S/C13H21N5/c1-8-9(2)15-13(14)16-12(8)18-6-10-4-17(3)5-11(10)7-18/h10-11H,4-7H2,1-3H3,(H2,14,15,16)/t10-,11+
InChIKeyCSPLXIRIQIUNSM-PHIMTYICSA-N
XLogP0.67
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine (CID 24994952) is 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine is Cc1nc(N)nc(N2C[C@H]3CN(C)C[C@H]3C2)c1C.
What is the InChIKey of 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine?
The InChIKey is CSPLXIRIQIUNSM-PHIMTYICSA-N. The full InChI is InChI=1S/C13H21N5/c1-8-9(2)15-13(14)16-12(8)18-6-10-4-17(3)5-11(10)7-18/h10-11H,4-7H2,1-3H3,(H2,14,15,16)/t10-,11+.
What are the key properties of 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine?
4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine has a molecular weight of 247.35 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 24994952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).