2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol

C10H13ClN6O2 — CID 62864873

IUPAC2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H13ClN6O2/c11-8-14-9(13-2-5-19-6-4-18)16-10(15-8)17-3-1-12-7-17/h1,3,7,18H,2,4-6H2,(H,13,14,15,16)
InChIKeyFQQQHGMYXDNKCX-UHFFFAOYSA-N
MW284.71 g/mol
LogP0.13
Rot. Bonds7

About 2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol

2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol (PubChem CID 62864873) has the molecular formula C10H13ClN6O2 and a molecular weight of 284.71 g/mol. Its IUPAC name is 2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
PubChem CID62864873
Molecular FormulaC10H13ClN6O2
Molecular Weight284.71 g/mol
Exact Mass284.08
IUPAC Name2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
SMILESOCCOCCNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C10H13ClN6O2/c11-8-14-9(13-2-5-19-6-4-18)16-10(15-8)17-3-1-12-7-17/h1,3,7,18H,2,4-6H2,(H,13,14,15,16)
InChIKeyFQQQHGMYXDNKCX-UHFFFAOYSA-N
XLogP0.13
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethylurea
CID 83114169
N-but-3-ynyl-4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106194902
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine
CID 62864635
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
2-[3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propoxy]ethanol
CID 106311250
4-chloro-6-imidazol-1-yl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330775
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108921
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol (CID 62864873) is 2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol is OCCOCCNc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
The InChIKey is FQQQHGMYXDNKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O2/c11-8-14-9(13-2-5-19-6-4-18)16-10(15-8)17-3-1-12-7-17/h1,3,7,18H,2,4-6H2,(H,13,14,15,16).
What are the key properties of 2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol?
2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol has a molecular weight of 284.71 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 62864873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).