2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol

C12H19N5O2 — CID 106311573

IUPAC2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol
SMILESCNc1cn2ccnc2c(NCCCOCCO)n1
InChIInChI=1S/C12H19N5O2/c1-13-10-9-17-5-4-15-12(17)11(16-10)14-3-2-7-19-8-6-18/h4-5,9,13,18H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyAYJQAFKXLRLBKA-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.58
Rot. Bonds8

About 2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol

2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol (PubChem CID 106311573) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol
PubChem CID106311573
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol
SMILESCNc1cn2ccnc2c(NCCCOCCO)n1
InChIInChI=1S/C12H19N5O2/c1-13-10-9-17-5-4-15-12(17)11(16-10)14-3-2-7-19-8-6-18/h4-5,9,13,18H,2-3,6-8H2,1H3,(H,14,16)
InChIKeyAYJQAFKXLRLBKA-UHFFFAOYSA-N
XLogP0.58
TPSA83.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-8-N-(4-propan-2-yloxybutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 106014703
5-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]pentanamide
CID 106241711
6-N-methyl-8-N-(4-methylsulfanylbutyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 113488442
4-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]butan-2-ol
CID 80841693
N-methyl-2-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]acetamide
CID 80784270
ethyl 3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propanoate
CID 80816137
8-N-(2,2-dimethylpropyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80798027
8-N-(cyclobutylmethyl)-6-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80784676
N-butyl-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80931834
6-hydrazinyl-N-(2-methoxyethyl)imidazo[1,2-a]pyrazin-8-amine
CID 80933012
6-N-methyl-8-N-[2-(trifluoromethylsulfanyl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 106434075
6-N-methyl-8-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80852584

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol?
The IUPAC name of 2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol (CID 106311573) is 2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol?
The canonical SMILES for 2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol is CNc1cn2ccnc2c(NCCCOCCO)n1.
What is the InChIKey of 2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol?
The InChIKey is AYJQAFKXLRLBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-13-10-9-17-5-4-15-12(17)11(16-10)14-3-2-7-19-8-6-18/h4-5,9,13,18H,2-3,6-8H2,1H3,(H,14,16).
What are the key properties of 2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol?
2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol has a molecular weight of 265.32 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]amino]propoxy]ethanol is sourced from PubChem (CID 106311573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).