2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]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 2.2 ALOGPS
logS -3.3 ALOGPS
Water Solubility 1.88e-01 g/l ALOGPS
logP 2.02 ChemAxon
IUPAC Name 5-methyl-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine ChemAxon
Traditional IUPAC Name 5-methyl-6-{[methyl(3,4,5-trimethoxyphenyl)amino]methyl}pyrido[2,3-d]pyrimidine-2,4-diamine ChemAxon
Molecular Weight 384.4323 ChemAxon
Monoisotopic Weight 384.190988664 ChemAxon
SMILES COC1=CC(=CC(OC)=C1OC)N(C)CC1=C(C)C2=C(N)N=C(N)N=C2N=C1 ChemAxon
Molecular Formula C19H24N6O3 ChemAxon
InChI InChI=1S/C19H24N6O3/c1-10-11(8-22-18-15(10)17(20)23-19(21)24-18)9-25(2)12-6-13(26-3)16(28-5)14(7-12)27-4/h6-8H,9H2,1-5H3,(H4,20,21,22,23,24) ChemAxon
InChIKey InChIKey=PEGMMEYCSOZKIT-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 121.64 ChemAxon
Refractivity 111.35 ChemAxon
Polarizability 41.4 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 9 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 16.06 ChemAxon
pKa (strongest basic) 3.89 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 1 ChemAxon

Target within organism

  • Dihydrofolate reductase : in Human