2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine

C12H17N5 — CID 83266216

IUPAC2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NC(C)Cn2ccnc2)cc1N
InChIInChI=1S/C12H17N5/c1-9-6-15-12(5-11(9)13)16-10(2)7-17-4-3-14-8-17/h3-6,8,10H,7H2,1-2H3,(H3,13,15,16)
InChIKeyIOEJLZOLBYLUQJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.67
Rot. Bonds4

About 2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine

2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine (PubChem CID 83266216) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine
PubChem CID83266216
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NC(C)Cn2ccnc2)cc1N
InChIInChI=1S/C12H17N5/c1-9-6-15-12(5-11(9)13)16-10(2)7-17-4-3-14-8-17/h3-6,8,10H,7H2,1-2H3,(H3,13,15,16)
InChIKeyIOEJLZOLBYLUQJ-UHFFFAOYSA-N
XLogP1.67
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Glu-P 1
CID 49971
Imidacloprid guanidine olefin
CID 9815679
SB-220025
CID 5164
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
VK-19911
CID 9797240
[2-(1H-imidazol-1-yl)pyridin-4-yl]methanamine
CID 16782615
2-(1H-imidazol-1-yl)-5-(trifluoromethyl)pyridine
CID 737967
2,4-Disubstituted Pyrimidine 2b
CID 5329415
2,4-Disubstituted Pyrimidine 2c
CID 5329416

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine (CID 83266216) is 2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine is Cc1cnc(NC(C)Cn2ccnc2)cc1N.
What is the InChIKey of 2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine?
The InChIKey is IOEJLZOLBYLUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-6-15-12(5-11(9)13)16-10(2)7-17-4-3-14-8-17/h3-6,8,10H,7H2,1-2H3,(H3,13,15,16).
What are the key properties of 2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine?
2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83266216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).