5-Bromocytosine

C₄H₄BrN₃OCAS 2240-25-7190.00 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₄H₄BrN₃O
Molar mass: 190.00 g/mol
Exact mass: 188.9538 Da
Melting point: 245–255 °C (decomposes)
logP: 0.36Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2240-25-7

SMILES

N=c1[nH]c(O)ncc1Br

InChIKey

QFVKLKDEXOWFSL-UHFFFAOYSA-N

InChI

InChI=1S/C4H4BrN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

Weigh it out

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

Names and synonyms

5 names

2(1H)-Pyrimidinone, 6-amino-5-bromo-
Cytosine, 5-bromo-
2(1H)-Pyrimidinone, 4-amino-5-bromo-
6-Amino-5-bromo-2(1H)-pyrimidinone
4-Amino-5-bromo-2-hydroxypyrimidine

Work with 5-Bromocytosine

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

5-Methylcytosine554-01-860 % similar 6-Amino-5-iodo-2(1H)-pyrimidinone1122-44-758 % similar Flucytosine2022-85-758 % similar 5-Methylcytosine hydrochloride58366-64-655 % similar 6-Amino-1,3,5-triazin-2(1H)-one931-86-245 % similar 4-Amino-5-bromopyrimidine1439-10-744 % similar 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-342 % similar Cytosine71-30-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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