N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine

C16H22N4O — CID 60870620

IUPACN'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2nc(C)cnc2C)cc1
InChIInChI=1S/C16H22N4O/c1-12-11-18-13(2)16(19-12)20(10-4-9-17)14-5-7-15(21-3)8-6-14/h5-8,11H,4,9-10,17H2,1-3H3
InChIKeyIIUODXUXMTZGLG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.59
Rot. Bonds6

About N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine

N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine (PubChem CID 60870620) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine
PubChem CID60870620
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(N(CCCN)c2nc(C)cnc2C)cc1
InChIInChI=1S/C16H22N4O/c1-12-11-18-13(2)16(19-12)20(10-4-9-17)14-5-7-15(21-3)8-6-14/h5-8,11H,4,9-10,17H2,1-3H3
InChIKeyIIUODXUXMTZGLG-UHFFFAOYSA-N
XLogP2.59
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine (CID 60870620) is N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine is COc1ccc(N(CCCN)c2nc(C)cnc2C)cc1.
What is the InChIKey of N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The InChIKey is IIUODXUXMTZGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-11-18-13(2)16(19-12)20(10-4-9-17)14-5-7-15(21-3)8-6-14/h5-8,11H,4,9-10,17H2,1-3H3.
What are the key properties of N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dimethylpyrazin-2-yl)-N'-(4-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 60870620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).