chempirical

Simeton

C8H15N5OCAS 673-04-1197.24 g/mol

Open in Covalent MOL file
NNONHNHN
Ether

Properties

Molecular formula
C8H15N5O
Molar mass
197.24 g/mol
Exact mass
197.1277 Da
logP
-0.41Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
673-04-1
SMILES
CCN=c1nc(OC)[nH]c(=NCC)[nH]1
InChIKey
HKAMKLBXTLTVCN-UHFFFAOYSA-N
InChI
InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,3,5-Triazine-2,4-diamine, N2,N4-diethyl-6-methoxy-
  • s-Triazine, 2,4-bis(ethylamino)-6-methoxy-
  • 1,3,5-Triazine-2,4-diamine, N,N′-diethyl-6-methoxy-
  • N2,N4-Diethyl-6-methoxy-1,3,5-triazine-2,4-diamine
  • G-30044
  • Geigy 30,044
  • 4,6-Bis (ethylamino)-2-methoxy-s-triazine
  • 2,4-Bis(ethylamino)-6-methoxy-s-triazine
  • Gesadural
  • 2-Methoxy-4,6-bis(ethylamino)-s-triazine
  • Pimeton
  • Simetone
  • NSC 163050
  • 2-N,4-N-Diethyl-6-methoxy-1,3,5-triazine-2,4-diamine
  • 2-Methoxy-4,6-bisethylamino-1,3,5-triazine

Work with Simeton

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

Simazine122-34-957 % similar Simetryn1014-70-653 % similar Atrazine1912-24-942 % similar Ametryn834-12-839 % similar 4-Methoxy-N,6-dimethyl-1,3,5-triazin-2-amine5248-39-537 % similar Terbuthylazine5915-41-334 % similar 2-Amino-4-methoxy-6-methyl-1,3,5-triazine1668-54-833 % similar Cyanazine21725-46-230 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook