2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine

C9H13N3 — CID 130439173

IUPAC2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine
SMILESC=CNc1nc(C)c(C)cc1N
InChIInChI=1S/C9H13N3/c1-4-11-9-8(10)5-6(2)7(3)12-9/h4-5H,1,10H2,2-3H3,(H,11,12)
InChIKeyRUGOFOFEARKMLI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.84
Rot. Bonds2

About 2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine

2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine (PubChem CID 130439173) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine
PubChem CID130439173
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine
SMILESC=CNc1nc(C)c(C)cc1N
InChIInChI=1S/C9H13N3/c1-4-11-9-8(10)5-6(2)7(3)12-9/h4-5H,1,10H2,2-3H3,(H,11,12)
InChIKeyRUGOFOFEARKMLI-UHFFFAOYSA-N
XLogP1.84
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine?
The IUPAC name of 2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine (CID 130439173) is 2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine?
The canonical SMILES for 2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine is C=CNc1nc(C)c(C)cc1N.
What is the InChIKey of 2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine?
The InChIKey is RUGOFOFEARKMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-11-9-8(10)5-6(2)7(3)12-9/h4-5H,1,10H2,2-3H3,(H,11,12).
What are the key properties of 2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine?
2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine has a molecular weight of 163.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethenyl-5,6-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 130439173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).