6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine

C11H15N5O — CID 115320795

IUPAC6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2nccn2C)n1
InChIInChI=1S/C11H15N5O/c1-16-6-5-13-9(16)7-14-11-8(12)3-4-10(15-11)17-2/h3-6H,7,12H2,1-2H3,(H,14,15)
InChIKeyYADPAWPUOUJVQE-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.02
Rot. Bonds4

About 6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine

6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine (PubChem CID 115320795) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
PubChem CID115320795
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
SMILESCOc1ccc(N)c(NCc2nccn2C)n1
InChIInChI=1S/C11H15N5O/c1-16-6-5-13-9(16)7-14-11-8(12)3-4-10(15-11)17-2/h3-6H,7,12H2,1-2H3,(H,14,15)
InChIKeyYADPAWPUOUJVQE-UHFFFAOYSA-N
XLogP1.02
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 114406596
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,3-diamine
CID 115320492
1-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-1,8-diamine
CID 82569926
4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087956
6-methoxy-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 155403130
2,3-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 138489685
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143844
2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63678191
2-N-butyl-6-methoxypyridine-2,3-diamine
CID 115320288
6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80913707
6-methoxy-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-2,3-diamine
CID 113286515

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine (CID 115320795) is 6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine is COc1ccc(N)c(NCc2nccn2C)n1.
What is the InChIKey of 6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine?
The InChIKey is YADPAWPUOUJVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16-6-5-13-9(16)7-14-11-8(12)3-4-10(15-11)17-2/h3-6H,7,12H2,1-2H3,(H,14,15).
What are the key properties of 6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine?
6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine has a molecular weight of 233.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 115320795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).