2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine

C13H17N3O — CID 80781469

IUPAC2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
SMILESCNc1cccc(N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C13H17N3O/c1-10-7-8-11(17-10)9-16(3)13-6-4-5-12(14-2)15-13/h4-8H,9H2,1-3H3,(H,14,15)
InChIKeyAABRNJRVYOVSHX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.66
Rot. Bonds4

About 2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine

2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine (PubChem CID 80781469) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
PubChem CID80781469
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
SMILESCNc1cccc(N(C)Cc2ccc(C)o2)n1
InChIInChI=1S/C13H17N3O/c1-10-7-8-11(17-10)9-16(3)13-6-4-5-12(14-2)15-13/h4-8H,9H2,1-3H3,(H,14,15)
InChIKeyAABRNJRVYOVSHX-UHFFFAOYSA-N
XLogP2.66
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80781028
N-methyl-N-[(5-methylfuran-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 62280099
6-N-ethyl-2-N,6-N-dimethylpyridine-2,6-diamine
CID 80774981
6-hydrazinyl-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80907155
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine
CID 80820064
N-methyl-6-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]pyridazin-3-amine
CID 62280117
2-N,4-N-dimethyl-4-N-[(5-methylfuran-2-yl)methyl]quinazoline-2,4-diamine
CID 80776365
N-ethyl-6-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79243174
[6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyrazin-2-yl]methanol
CID 66466599
4-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80781793
2-N,6-N-dimethyl-6-N-[(2-methylcyclopropyl)methyl]pyridine-2,6-diamine
CID 80838786
6-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridine-3-carbaldehyde
CID 80637621

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine (CID 80781469) is 2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine is CNc1cccc(N(C)Cc2ccc(C)o2)n1.
What is the InChIKey of 2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine?
The InChIKey is AABRNJRVYOVSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-7-8-11(17-10)9-16(3)13-6-4-5-12(14-2)15-13/h4-8H,9H2,1-3H3,(H,14,15).
What are the key properties of 2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine?
2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine has a molecular weight of 231.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-dimethyl-6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80781469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).