6-MORPHOLIN-4-YL-9H-PURINE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

6-alkylaminopurines

Organic compounds

Organoheterocyclic compounds

Imidazopyrimidines

Purines and purine derivatives

Calculated Property

kind Value Source
logP 0.23 ALOGPS
logS -1.8 ALOGPS
Water Solubility 3.57e+00 g/l ALOGPS
logP 0.19 ChemAxon
IUPAC Name 6-(morpholin-4-yl)-9H-purine ChemAxon
Traditional IUPAC Name 6-morpholin-4-yl-9H-purine ChemAxon
Molecular Weight 205.2165 ChemAxon
Monoisotopic Weight 205.096359999 ChemAxon
SMILES C1CN(CCO1)C1=C2N=CNC2=NC=N1 ChemAxon
Molecular Formula C9H11N5O ChemAxon
InChI InChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-7-8(11-5-10-7)12-6-13-9/h5-6H,1-4H2,(H,10,11,12,13) ChemAxon
InChIKey InChIKey=MEOMXKNIFWDDGZ-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 66.93 ChemAxon
Refractivity 55.4 ChemAxon
Polarizability 20.33 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest acidic) 9.84 ChemAxon
pKa (strongest basic) 4.94 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

  • Serine/threonine-protein kinase Chk1 : in Human