2,4-Diamino-6-[N-(3′,4′,5′-Trimethoxybenzyl)-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 3.51e-01 g/l ALOGPS
logP 1.51 ChemAxon
IUPAC Name N6-methyl-N6-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine ChemAxon
Traditional IUPAC Name N6-methyl-N6-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine ChemAxon
Molecular Weight 370.4057 ChemAxon
Monoisotopic Weight 370.1753386 ChemAxon
SMILES COC1=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=CC(OC)=C1OC ChemAxon
Molecular Formula C18H22N6O3 ChemAxon
InChI InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23) ChemAxon
InChIKey InChIKey=PUOZHLHNKHRTOW-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 121.64 ChemAxon
Refractivity 106.31 ChemAxon
Polarizability 37.74 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 9 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 1 ChemAxon

Target within organism

  • Dihydrofolate reductase : in Human