2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol

C17H23N9O — CID 23844906

IUPAC2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCCCn2ccnc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C17H23N9O/c27-11-8-21-16-23-15(20-6-3-9-26-10-7-18-13-26)24-17(25-16)22-12-14-4-1-2-5-19-14/h1-2,4-5,7,10,13,27H,3,6,8-9,11-12H2,(H3,20,21,22,23,24,25)
InChIKeyGAOYSYTZNVMUAE-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.98
Rot. Bonds11

About 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol

2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 23844906) has the molecular formula C17H23N9O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol
PubChem CID23844906
Molecular FormulaC17H23N9O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC Name2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol
SMILESOCCNc1nc(NCCCn2ccnc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C17H23N9O/c27-11-8-21-16-23-15(20-6-3-9-26-10-7-18-13-26)24-17(25-16)22-12-14-4-1-2-5-19-14/h1-2,4-5,7,10,13,27H,3,6,8-9,11-12H2,(H3,20,21,22,23,24,25)
InChIKeyGAOYSYTZNVMUAE-UHFFFAOYSA-N
XLogP0.98
TPSA125.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol with MolForge

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Related Compounds

1-(3-imidazol-1-ylpropyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969415
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carboxylic acid
CID 107553286
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80776963
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3,3-diphenylpropyl)-6-N-(3-imidazol-1-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 23901017
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(pyridin-2-ylmethyl)guanidine
CID 110970281
1-ethyl-2-(3-imidazol-1-ylpropyl)-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194497
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
1-[2-(3-imidazol-1-ylpropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 72892657

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 23844906) is 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol is OCCNc1nc(NCCCn2ccnc2)nc(NCc2ccccn2)n1.
What is the InChIKey of 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
The InChIKey is GAOYSYTZNVMUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N9O/c27-11-8-21-16-23-15(20-6-3-9-26-10-7-18-13-26)24-17(25-16)22-12-14-4-1-2-5-19-14/h1-2,4-5,7,10,13,27H,3,6,8-9,11-12H2,(H3,20,21,22,23,24,25).
What are the key properties of 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol?
2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 369.43 g/mol, XLogP of 0.98, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-imidazol-1-ylpropylamino)-6-(pyridin-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 23844906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).