6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine

C11H14N4O — CID 79828230

IUPAC6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine
SMILESCN(Cc1ccco1)c1ccc(N)c(N)n1
InChIInChI=1S/C11H14N4O/c1-15(7-8-3-2-6-16-8)10-5-4-9(12)11(13)14-10/h2-6H,7,12H2,1H3,(H2,13,14)
InChIKeyBRUHECQICUXSAJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.48
Rot. Bonds3

About 6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine

6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine (PubChem CID 79828230) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine
PubChem CID79828230
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine
SMILESCN(Cc1ccco1)c1ccc(N)c(N)n1
InChIInChI=1S/C11H14N4O/c1-15(7-8-3-2-6-16-8)10-5-4-9(12)11(13)14-10/h2-6H,7,12H2,1H3,(H2,13,14)
InChIKeyBRUHECQICUXSAJ-UHFFFAOYSA-N
XLogP1.48
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine (CID 79828230) is 6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine is CN(Cc1ccco1)c1ccc(N)c(N)n1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine?
The InChIKey is BRUHECQICUXSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15(7-8-3-2-6-16-8)10-5-4-9(12)11(13)14-10/h2-6H,7,12H2,1H3,(H2,13,14).
What are the key properties of 6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine?
6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine has a molecular weight of 218.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine is sourced from PubChem (CID 79828230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).