2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond.

Pyridinylpyrimidines

Organic compounds

Organoheterocyclic compounds

Diazines

Pyrimidines and pyrimidine derivatives

Calculated Property

kind Value Source
logP 3.62 ALOGPS
logS -4.4 ALOGPS
Water Solubility 1.29e-02 g/l ALOGPS
logP 3.83 ChemAxon
IUPAC Name 2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine ChemAxon
Traditional IUPAC Name 2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine ChemAxon
Molecular Weight 313.3559 ChemAxon
Monoisotopic Weight 313.132745505 ChemAxon
SMILES CC1=CC=CC(=N1)C1=NC(NC2=CC=NC=C2)=C2C=CC=CC2=N1 ChemAxon
Molecular Formula C19H15N5 ChemAxon
InChI InChI=1S/C19H15N5/c1-13-5-4-8-17(21-13)19-23-16-7-3-2-6-15(16)18(24-19)22-14-9-11-20-12-10-14/h2-12H,1H3,(H,20,22,23,24) ChemAxon
InChIKey InChIKey=JONFDFIXMPXTRH-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 63.59 ChemAxon
Refractivity 102.92 ChemAxon
Polarizability 34.25 ChemAxon
Rotatable Bond Count 3 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 15.03 ChemAxon
pKa (strongest basic) 7.68 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 4 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • TGF-beta receptor type-1 : in Human