2-N-butyl-6-methoxypyridine-2,3-diamine

C10H17N3O — CID 115320288

IUPAC2-N-butyl-6-methoxypyridine-2,3-diamine
SMILESCCCCNc1nc(OC)ccc1N
InChIInChI=1S/C10H17N3O/c1-3-4-7-12-10-8(11)5-6-9(13-10)14-2/h5-6H,3-4,7,11H2,1-2H3,(H,12,13)
InChIKeyOWNYMHRAAXAZNW-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.88
Rot. Bonds5

About 2-N-butyl-6-methoxypyridine-2,3-diamine

2-N-butyl-6-methoxypyridine-2,3-diamine (PubChem CID 115320288) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-N-butyl-6-methoxypyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-butyl-6-methoxypyridine-2,3-diamine
PubChem CID115320288
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-N-butyl-6-methoxypyridine-2,3-diamine
SMILESCCCCNc1nc(OC)ccc1N
InChIInChI=1S/C10H17N3O/c1-3-4-7-12-10-8(11)5-6-9(13-10)14-2/h5-6H,3-4,7,11H2,1-2H3,(H,12,13)
InChIKeyOWNYMHRAAXAZNW-UHFFFAOYSA-N
XLogP1.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-N-(5,5,5-trifluoropentyl)pyridine-2,3-diamine
CID 115515515
2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethanol;dihydrochloride
CID 3019251
2-N-(2-ethylhexyl)-6-methoxypyridine-2,3-diamine
CID 114004558
6-methoxy-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115320787
ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate
CID 113286520
6-methoxy-2-N-[2-(2-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115320941
6-methoxy-2-N-(2-methylprop-2-enyl)pyridine-2,3-diamine
CID 114615186
6-methoxy-2-N-[(4-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 115320291
3-[2-[(3-amino-6-methoxy-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83116624
6-methoxy-2-N-methylpyridine-2,3-diamine;hydrochloride
CID 22731600
6-methoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,3-diamine
CID 113286378
6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143844

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-methoxypyridine-2,3-diamine?
The IUPAC name of 2-N-butyl-6-methoxypyridine-2,3-diamine (CID 115320288) is 2-N-butyl-6-methoxypyridine-2,3-diamine.
What is the SMILES notation for 2-N-butyl-6-methoxypyridine-2,3-diamine?
The canonical SMILES for 2-N-butyl-6-methoxypyridine-2,3-diamine is CCCCNc1nc(OC)ccc1N.
What is the InChIKey of 2-N-butyl-6-methoxypyridine-2,3-diamine?
The InChIKey is OWNYMHRAAXAZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-7-12-10-8(11)5-6-9(13-10)14-2/h5-6H,3-4,7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-N-butyl-6-methoxypyridine-2,3-diamine?
2-N-butyl-6-methoxypyridine-2,3-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-methoxypyridine-2,3-diamine is sourced from PubChem (CID 115320288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).