O-(6)-Methylguanine

C₆H₇N₅OCAS 20535-83-5165.16 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₆H₇N₅O
Molar mass: 165.16 g/mol
Exact mass: 165.0651 Da
Melting point: 245–248 °C (decomposes)
logP: -0.23Crippen estimate
Polar surface area: 90.4 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation25% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation25% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation25% of notifiers
H341 Suspected of causing genetic defects75% of notifiers
H361 Suspected of damaging fertility or the unborn child50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20535-83-5

SMILES

COc1nc(=N)[nH]c2[nH]cnc12

InChIKey

BXJHWYVXLGLDMZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H7N5O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

6-O-Methylguanine
9H-Purin-2-amine, 6-methoxy-
Purine, 2-amino-6-methoxy-
1H-Purin-2-amine, 6-methoxy-
6-Methoxy-9H-purin-2-amine
6-Methoxyguanine
O6-Methylguanine
2-Amino-6-methoxypurine
NSC 37364

Work with O-(6)-Methylguanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Guanine73-40-559 % similar O6-Benzylguanine19916-73-557 % similar Thioguanine154-42-755 % similar Guanine hydrochloride635-39-255 % similar Lomeguatrib192441-08-049 % similar Guanine sulfate10333-92-349 % similar 6-Methoxy-9H-purine1074-89-143 % similar 2-Amino-4,6-dimethoxypyrimidine256642-28-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

7-Methylguanine578-76-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia