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

C11H15N5 — CID 80829255

IUPAC2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
SMILESCNc1cccc(NCc2nccn2C)n1
InChIInChI=1S/C11H15N5/c1-12-9-4-3-5-10(15-9)14-8-11-13-6-7-16(11)2/h3-7H,8H2,1-2H3,(H2,12,14,15)
InChIKeyIIMJLNWHAIGGCU-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.47
Rot. Bonds4

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

2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine (PubChem CID 80829255) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
PubChem CID80829255
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine
SMILESCNc1cccc(NCc2nccn2C)n1
InChIInChI=1S/C11H15N5/c1-12-9-4-3-5-10(15-9)14-8-11-13-6-7-16(11)2/h3-7H,8H2,1-2H3,(H2,12,14,15)
InChIKeyIIMJLNWHAIGGCU-UHFFFAOYSA-N
XLogP1.47
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 80913707
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718475
N-methyl-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-2-amine
CID 79231213
N-[(1-methylimidazol-2-yl)methyl]naphthalen-1-amine
CID 43087970
2,6-difluoro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43088131
5-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63295615
N-(3-methylcyclobutyl)-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-sulfonamide
CID 154772382
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909
6-chloro-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63294100
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
2-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087854

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine (CID 80829255) is 2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine is CNc1cccc(NCc2nccn2C)n1.
What is the InChIKey of 2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine?
The InChIKey is IIMJLNWHAIGGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-12-9-4-3-5-10(15-9)14-8-11-13-6-7-16(11)2/h3-7H,8H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine?
2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine has a molecular weight of 217.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80829255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).