1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine

C11H20N4O — CID 63761007

IUPAC1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCOCC(N)CN(C)c1nc(C)cnc1C
InChIInChI=1S/C11H20N4O/c1-8-5-13-9(2)11(14-8)15(3)6-10(12)7-16-4/h5,10H,6-7,12H2,1-4H3
InChIKeyQUHRJUHRUWNCNI-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.50
Rot. Bonds5

About 1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine

1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine (PubChem CID 63761007) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
PubChem CID63761007
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCOCC(N)CN(C)c1nc(C)cnc1C
InChIInChI=1S/C11H20N4O/c1-8-5-13-9(2)11(14-8)15(3)6-10(12)7-16-4/h5,10H,6-7,12H2,1-4H3
InChIKeyQUHRJUHRUWNCNI-UHFFFAOYSA-N
XLogP0.50
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine (CID 63761007) is 1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine is COCC(N)CN(C)c1nc(C)cnc1C.
What is the InChIKey of 1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The InChIKey is QUHRJUHRUWNCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-5-13-9(2)11(14-8)15(3)6-10(12)7-16-4/h5,10H,6-7,12H2,1-4H3.
What are the key properties of 1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine?
1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63761007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).