2,4-Diamino-6-[N-(2′,5′-Dimethoxybenzyl)-N-Methylamino]Quinazoline

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 2.68 ALOGPS
logS -3.2 ALOGPS
Water Solubility 2.13e-01 g/l ALOGPS
logP 2.56 ChemAxon
IUPAC Name N6-[(2,5-dimethoxyphenyl)methyl]-N6-methylquinazoline-2,4,6-triamine ChemAxon
Traditional IUPAC Name N6-[(2,5-dimethoxyphenyl)methyl]-N6-methylquinazoline-2,4,6-triamine ChemAxon
Molecular Weight 339.3916 ChemAxon
Monoisotopic Weight 339.169524941 ChemAxon
SMILES COC1=CC(CN(C)C2=CC=C3N=C(N)N=C(N)C3=C2)=C(OC)C=C1 ChemAxon
Molecular Formula C18H21N5O2 ChemAxon
InChI InChI=1S/C18H21N5O2/c1-23(10-11-8-13(24-2)5-7-16(11)25-3)12-4-6-15-14(9-12)17(19)22-18(20)21-15/h4-9H,10H2,1-3H3,(H4,19,20,21,22) ChemAxon
InChIKey InChIKey=YBJANOUTWRTBDK-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 99.52 ChemAxon
Refractivity 100.43 ChemAxon
Polarizability 35.65 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 18.54 ChemAxon
pKa (strongest basic) 7.4 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Dihydrofolate reductase : in Pneumocystis carinii
  • Dihydrofolate reductase : in Human