2,4,6-Triaminoquinazoline

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.

Quinazolinamines

Organic compounds

Organoheterocyclic compounds

Naphthyridines

Quinazolines

Calculated Property

kind Value Source
logP -0.27 ALOGPS
logS -1.5 ALOGPS
Water Solubility 5.51e+00 g/l ALOGPS
logP 0.21 ChemAxon
IUPAC Name quinazoline-2,4,6-triamine ChemAxon
Traditional IUPAC Name 2,4,6-triaminoquinazoline ChemAxon
Molecular Weight 175.1906 ChemAxon
Monoisotopic Weight 175.085795313 ChemAxon
SMILES NC1=CC=C2N=C(N)N=C(N)C2=C1 ChemAxon
Molecular Formula C8H9N5 ChemAxon
InChI InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13) ChemAxon
InChIKey InChIKey=LJBWEZVYRBKOCI-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 103.84 ChemAxon
Refractivity 53.16 ChemAxon
Polarizability 17.77 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 18.65 ChemAxon
pKa (strongest basic) 7.43 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Pteridine reductase 1 : in Leishmania major
  • Putative dehydrogenase/reductase SDR family member 4-like 2 : in Human