CAS 59277-86-0 2,6-Diamino-9-(2-hydroxyethoxymethyl)purine (HCID 94588)

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Basic information

CAS: 59277-86-0
Standard SMILES: Nc1nc(N)c2ncn(COCCO)c2n1
InChIKey: CSMCRCLIPQDIKB-UHFFFAOYSA-N
Molecular formula: C8H12N6O2
Average molar mass: 224.22 g/mol
Monoisotopic mass: 224.10217362

Overview

adenosine deaminase converts above cpd to acylovir

Names & identifiers

Preferred name: 2,6-Diamino-9-(2-hydroxyethoxymethyl)purine
IUPAC: 2-[(2,6-diaminopurin-9-yl)methoxy]ethanol
English name: 2-[(2,6-diaminopurin-9-yl)methoxy]ethanol
Molecular formula: C8H12N6O2
Molecular weight: 224.22

Names & synonyms

59277-86-02,6-Diamino-9-(2-hydroxyethoxymethyl)purine2,6-DhempA134UFQ5WML1YR3BW 134UA-134UEthanol, 2-[(2,6-diamino-9H-purin-9-yl)methoxy]-DTXSID20207993Ethanol, 2-((2,6-diamino-9H-purin-9-yl)methoxy)-RefChem:83118DTXCID70130484

Show more names

TB-20462-[(2,6-Diamino-9H-purin-9-yl)methoxy]ethanol

2-[(2,6-diaminopurin-9-yl)methoxy]ethanol2-((2,6-Diamino-9H-purin-9-yl)methoxy)ethanolA-134-U2-[(2,6-diamino-9H-purin-9-yl)methoxy]ethan-1-ol2-((2,6-Diamino-9h-purin-9-yl)methoxy)ethan-1-olUNII-FQ5WML1YR3CHEMBL25693SCHEMBL571583

Database identifiers

CAS: 59277-86-0
PubChem CID: 94588
DTXSID: DTXSID20207993
ChEMBL: CHEMBL25693
UNII: FQ5WML1YR3
Nikkaji: J134.027A

Properties

Computed structural properties

XLogP: -1.4
Topological polar surface area: 125 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 231

Experimental & physicochemical properties

LogP-1.06

Physicochemical properties

FDA UNII: 5 WML1YR3 · FQ5WML1YR3
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338