6-Chloro-1,3,5-triazine-2,4-diamine

C3H4ClN5CAS 3397-62-4145.55 g/mol

Open in Covalent MOL file
NHNClNHHNHN
Aryl halide

Properties

Molecular formula
C3H4ClN5
Molar mass
145.55 g/mol
Exact mass
145.0155 Da
Melting point
above 330 °C
logP
-0.65Crippen estimate
Polar surface area
92.2 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 34 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3397-62-4
SMILES
N=c1nc(Cl)[nH]c(=N)[nH]1
InChIKey
FVFVNNKYKYZTJU-UHFFFAOYSA-N
InChI
InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)

Weigh it out

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

Names and synonyms

24 names · show all
  • 1,3,5-Triazine-2,4-diamine, 6-chloro-
  • s-Triazine, 2,4-diamino-6-chloro-
  • 2,4-Diamino-6-chloro-s-triazine
  • 4,6-Diamino-2-chloro-s-triazine
  • G 28273
  • ENT 50982
  • 2-Chloro-4,6-bisamino-s-triazine
  • 2-Chloro-4,6-diamino-1,3,5-triazine
  • 2,4-Diamino-6-chloro-1,3,5-triazine
  • 2-Chloro-4,6-diamino-s-triazine
  • Deethyldeisopropylatrazine
  • 6-Chloro-2,4-diamino-1,3,5-triazine
  • Dideethylsimazine
  • Desethyldesisopropylatrazine
  • Chloroammeline
  • 2-Chloro-4,6-bis(amino)-1,3,5-triazine
  • NSC 680830
  • NSC 7965
  • Deisopropyldeethyl atrazine
  • 2,4-Diamino-6-chlorotriazine
  • DACT
  • Didealkylatrazine
  • AtraMod
  • 2-Chloro-1,3,5-triazine-4,6-diamine

Work with 6-Chloro-1,3,5-triazine-2,4-diamine

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

Acetoguanamine542-02-956 % similar 4,6-Dichloro-1,3,5-trazin-2-amine933-20-056 % similar Benzoguanamine91-76-944 % similar Irsogladine57381-26-742 % similar 2-Amino-4-chloro-6-methylpyrimidine5600-21-539 % similar 2,6-Dichloro-4-pyrimidinamine10132-07-739 % similar 1,3,5-Triazine-2,4-diamine504-08-538 % similar 2-Chloro-6-methyl-4-pyrimidinamine14394-60-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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