Sri-9662

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 2.65 ALOGPS
logS -4.1 ALOGPS
Water Solubility 2.73e-02 g/l ALOGPS
logP 2.69 ChemAxon
IUPAC Name 6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine ChemAxon
Traditional IUPAC Name 6-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine ChemAxon
Molecular Weight 337.3758 ChemAxon
Monoisotopic Weight 337.153874877 ChemAxon
SMILES COC1=CC(C=C/C2=C(C)C3=C(N)N=C(N)N=C3N=C2)=C(OC)C=C1 ChemAxon
Molecular Formula C18H19N5O2 ChemAxon
InChI InChI=1S/C18H19N5O2/c1-10-12(9-21-17-15(10)16(19)22-18(20)23-17)5-4-11-8-13(24-2)6-7-14(11)25-3/h4-9H,1-3H3,(H4,19,20,21,22,23)/b5-4- ChemAxon
InChIKey InChIKey=WNDJHUNKXPAREB-PLNGDYQASA-N ChemAxon
Polar Surface Area (PSA) 109.17 ChemAxon
Refractivity 101.3 ChemAxon
Polarizability 35.55 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 7 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 0 ChemAxon

Target within organism

  • Dihydrofolate reductase : in Human