2,4-Diamino-6-[N-(3′,5′-Dimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Pyridopyrimidines

Organic compounds

Organoheterocyclic compounds

Pyridopyrimidines

Calculated Property

kind Value Source
logP 2.16 ALOGPS
logS -3 ALOGPS
Water Solubility 3.38e-01 g/l ALOGPS
logP 1.66 ChemAxon
IUPAC Name N6-[(3,5-dimethoxyphenyl)methyl]-N6-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine ChemAxon
Traditional IUPAC Name N6-[(3,5-dimethoxyphenyl)methyl]-N6-methylpyrido[2,3-d]pyrimidine-2,4,6-triamine ChemAxon
Molecular Weight 340.3797 ChemAxon
Monoisotopic Weight 340.164773914 ChemAxon
SMILES COC1=CC(OC)=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=C1 ChemAxon
Molecular Formula C17H20N6O2 ChemAxon
InChI InChI=1S/C17H20N6O2/c1-23(9-10-4-12(24-2)7-13(5-10)25-3)11-6-14-15(18)21-17(19)22-16(14)20-8-11/h4-8H,9H2,1-3H3,(H4,18,19,20,21,22) ChemAxon
InChIKey InChIKey=XWCCXDBXMCTZPW-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 112.41 ChemAxon
Refractivity 99.84 ChemAxon
Polarizability 35.13 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 8 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 16.08 ChemAxon
pKa (strongest basic) 4.3 ChemAxon
Physiological Charge 0 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