chempirical

Diaveridine

C13H16N4O2CAS 5355-16-8260.30 g/mol

Open in Covalent MOL file
ONHNHHNHNO
Ether

Properties

Molecular formula
C13H16N4O2
Molar mass
260.30 g/mol
Exact mass
260.1273 Da
Melting point
233 °C
logP
0.91Crippen estimate
Polar surface area
97.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4

Identifiers

CAS number
5355-16-8
SMILES
COc1ccc(Cc2c[nH]c(=N)[nH]c2=N)cc1OC
InChIKey
LDBTVAXGKYIFHO-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)

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Names and synonyms

9 names
  • 2,4-Pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-
  • Pyrimidine, 2,4-diamino-5-veratryl-
  • 5-[(3,4-Dimethoxyphenyl)methyl]-2,4-pyrimidinediamine
  • 2,4-Diamino-5-(3,4-dimethoxybenzyl)pyrimidine
  • 2,4-Diamino-5-veratrylpyrimidine
  • Diaveridin
  • EGIS 5645
  • NSC 408735
  • BW 49-210

Work with Diaveridine

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

Trimethoprim738-70-574 % similar Ormetoprim6981-18-666 % similar Trimethoprim lactate23256-42-054 % similar 3,4-Dimethoxyphenethylamine120-20-743 % similar Veratrylamine5763-61-142 % similar Veratryl chloride7306-46-942 % similar Veratrole alcohol93-03-842 % similar N-Methylhomoveratrylamine3490-06-041 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook