2,6-Diaminoquinazolin-4(3h)-One

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 ALOGPS
logS -1.1 ALOGPS
Water Solubility 1.45e+01 g/l ALOGPS
logP 0.74 ChemAxon
IUPAC Name 2,6-diaminoquinazolin-4-ol ChemAxon
Traditional IUPAC Name 2,6-diaminoquinazolin-4-ol ChemAxon
Molecular Weight 176.1753 ChemAxon
Monoisotopic Weight 176.069810898 ChemAxon
SMILES NC1=CC2=C(C=C1)N=C(N)N=C2O ChemAxon
Molecular Formula C8H8N4O ChemAxon
InChI InChI=1S/C8H8N4O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,9H2,(H3,10,11,12,13) ChemAxon
InChIKey InChIKey=YCRCNZBZUQLULA-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 98.05 ChemAxon
Refractivity 50.44 ChemAxon
Polarizability 17.26 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 13.35 ChemAxon
pKa (strongest basic) 2.86 ChemAxon
Physiological Charge 0 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

  • Queuine tRNA-ribosyltransferase : in Zymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4)