chempirical

6-Bromomethyl-pteridine-2,4-diamine hbr

C7H8Br2N6CAS 52853-40-4335.99 g/mol

Open in Covalent MOL file
NNNNNH2NH2BrHBr
Alkyl halidePrimary amine

Properties

Molecular formula
C7H8Br2N6
Molar mass
335.99 g/mol
Exact mass
333.9177 Da
logP
1.06Crippen estimate
Polar surface area
103.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
52853-40-4
SMILES
C1=C(N=C2C(=NC(=NC2=N1)N)N)CBr.Br
InChIKey
KMQIBGKVZDBGAH-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrN6.BrH/c8-1-3-2-11-6-4(12-3)5(9)13-7(10)14-6;/h2H,1H2,(H4,9,10,11,13,14);1H

Weigh it out

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Work with 6-Bromomethyl-pteridine-2,4-diamine hbr

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

2-(Bromomethyl)pyridine hydrobromide31106-82-833 % similar 3,3'-(2,4-Diamino-6,7-pteridinediyl)bisphenol677297-51-732 % similar 2,4-Diamino-6-hydroxymethylpteridine945-24-430 % similar

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

Elsewhere

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