1H-Purin-2-amine, 6-(1-methylethoxy)-

HCID 95804

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Basic information

CAS: 55146-05-9
Standard SMILES: CC(C)Oc1nc(N)nc2nc[nH]c12
InChIKey: ZCPOCPBDXIGEFE-UHFFFAOYSA-N
Molecular formula: C8H11N5O
Average molar mass: 193.21 g/mol
Monoisotopic mass: 193.09635997

Names & identifiers

Preferred name: 1H-Purin-2-amine, 6-(1-methylethoxy)-
IUPAC: 6-propan-2-yloxy-7H-purin-2-amine
English name: 1H-Purin-2-amine, 6-(1-methylethoxy)-
Molecular formula: C8H11N5O
Molecular weight: 193.20584

Names & synonyms

55146-05-96-ISOPROPOXY-1H-PURIN-2-AMINEO6-Isopropylguanine1H-Purin-2-amine, 6-(1-methylethoxy)-6-propan-2-yloxy-7H-purin-2-amine6-(propan-2-yloxy)-1h-purin-2-amine2-amino-6-isopropoxypurineMFCD204820366-isopropoxy-7H-purin-2-amine2-Amino-6-isopropoxy-9H-purineO6-Substituted Guanine Deriv. 76-(1-Methylethoxy)-1H-purin-2-amine

Show more names

6-(propan-2-yloxy)-9H-purin-2-amine2-Amino-6-prop-2-yloxypurineBDBM5465CHEMBL114250SCHEMBL8886043SCHEMBL9682496SCHEMBL96824986-isopropoxy-9H-purin-2-amine

Database identifiers

CAS: 55146-05-9
PubChem CID: 95804
DTXSID: DTXSID80203653
ChEMBL: CHEMBL114250

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 89.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 200

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H315-H319-H332-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501