5-Bromo-4-methylpyrimidin-2-amine

C₅H₆BrN₃CAS 17321-93-6188.03 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₅H₆BrN₃
Molar mass: 188.03 g/mol
Exact mass: 186.9745 Da
logP: 1.13Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

17321-93-6

SMILES

CC1=NC(=NC=C1Br)N

InChIKey

LPQVTZJEIXYDQA-UHFFFAOYSA-N

InChI

InChI=1S/C5H6BrN3/c1-3-4(6)2-8-5(7)9-3/h2H,1H3,(H2,7,8,9)

Weigh it out

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

Names and synonyms

1 names

2-Amino-4-methyl-5-bromopyrimidine

Work with 5-Bromo-4-methylpyrimidin-2-amine

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-Bromo-2-chloro-4-methylpyrimidine633328-95-757 % similar 5-Bromo-4-chloropyrimidin-2-amine1044767-99-855 % similar 5-Bromo-4-trifluoromethyl-pyrimidin-2-ylamine935534-47-750 % similar 2-Amino-5-bromo-4,6-dimethylpyrimidine4214-57-748 % similar 1-(2-Amino-4-methylpyrimidin-5-yl)ethan-1-one66373-25-947 % similar 2-Amino-3,5-dibromo-6-methylpyridine91872-10-547 % similar 5-Amino-3-bromo-2-methylpyridine186593-43-145 % similar 5-Bromo-6-methyl-2,3-pyridinediamine59352-90-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromopyridine-2,3-diamine129012-04-0 2-Bromo-6-hydrazinylpyridine26944-71-8 5-Bromopyridine-2,3-diamine38875-53-5 5-Bromo-3,4-pyridinediamine4635-08-9 3-Bromo-2,6-pyridinediamine54903-86-5 5-Bromo-2-hydrazinopyridine77992-44-0

Elsewhere

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