4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine

C13H21N5O — CID 67116268

IUPAC4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1cc(N2CC3CNCC3C2)nc(N(C)C)n1
InChIInChI=1S/C13H21N5O/c1-17(2)13-15-11(4-12(16-13)19-3)18-7-9-5-14-6-10(9)8-18/h4,9-10,14H,5-8H2,1-3H3
InChIKeyJOBZZGLQFYQEFE-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.21
Rot. Bonds3

About 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine

4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine (PubChem CID 67116268) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine
PubChem CID67116268
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1cc(N2CC3CNCC3C2)nc(N(C)C)n1
InChIInChI=1S/C13H21N5O/c1-17(2)13-15-11(4-12(16-13)19-3)18-7-9-5-14-6-10(9)8-18/h4,9-10,14H,5-8H2,1-3H3
InChIKeyJOBZZGLQFYQEFE-UHFFFAOYSA-N
XLogP0.21
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine (CID 67116268) is 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine is COc1cc(N2CC3CNCC3C2)nc(N(C)C)n1.
What is the InChIKey of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The InChIKey is JOBZZGLQFYQEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-17(2)13-15-11(4-12(16-13)19-3)18-7-9-5-14-6-10(9)8-18/h4,9-10,14H,5-8H2,1-3H3.
What are the key properties of 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine?
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-6-methoxy-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 67116268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).