2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine

C11H15N5 — CID 66280404

IUPAC2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(NCCn2ccnc2)c(N)c1
InChIInChI=1S/C11H15N5/c1-9-6-10(12)11(15-7-9)14-3-5-16-4-2-13-8-16/h2,4,6-8H,3,5,12H2,1H3,(H,14,15)
InChIKeyHEVKDHMWHWOEBC-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.28
Rot. Bonds4

About 2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine

2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine (PubChem CID 66280404) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
PubChem CID66280404
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(NCCn2ccnc2)c(N)c1
InChIInChI=1S/C11H15N5/c1-9-6-10(12)11(15-7-9)14-3-5-16-4-2-13-8-16/h2,4,6-8H,3,5,12H2,1H3,(H,14,15)
InChIKeyHEVKDHMWHWOEBC-UHFFFAOYSA-N
XLogP1.28
TPSA68.76 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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280700
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
5-methyl-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,3-diamine
CID 66278222
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117
5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide
CID 61358020
2-hydrazinyl-N-(2-imidazol-1-ylethyl)-5-methylpyrimidin-4-amine
CID 80896447
5-bromo-3-fluoro-N-(2-imidazol-1-ylethyl)pyridin-2-amine
CID 104923734
6-N-ethyl-4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80809043
5-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,3-diamine
CID 82057653
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
N-(2-imidazol-1-ylethyl)-5-methyl-1,3-thiazol-2-amine
CID 130782234
N-(3-imidazol-1-ylpropyl)-5-methylpyridazin-3-amine
CID 106549494

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine (CID 66280404) is 2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine is Cc1cnc(NCCn2ccnc2)c(N)c1.
What is the InChIKey of 2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine?
The InChIKey is HEVKDHMWHWOEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-6-10(12)11(15-7-9)14-3-5-16-4-2-13-8-16/h2,4,6-8H,3,5,12H2,1H3,(H,14,15).
What are the key properties of 2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine?
2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine has a molecular weight of 217.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-imidazol-1-ylethyl)-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 66280404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).