Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.

Pteridines and derivatives

Organic compounds

Organoheterocyclic compounds

Pteridines and derivatives

Calculated Property

kind Value Source
logP 0.56 ALOGPS
logS -2.9 ALOGPS
Water Solubility 3.11e-01 g/l ALOGPS
logP 0.82 ChemAxon
IUPAC Name (6R)-6-phenyl-5,6,7,8-tetrahydropteridine-2,4-diamine ChemAxon
Traditional IUPAC Name (6R)-6-phenyl-5,6,7,8-tetrahydropteridine-2,4-diamine ChemAxon
Molecular Weight 242.2798 ChemAxon
Monoisotopic Weight 242.127994478 ChemAxon
SMILES [H][C@]1(CNC2=C(N1)C(N)=NC(N)=N2)C1=CC=CC=C1 ChemAxon
Molecular Formula C12H14N6 ChemAxon
InChI InChI=1S/C12H14N6/c13-10-9-11(18-12(14)17-10)15-6-8(16-9)7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H5,13,14,15,17,18)/t8-/m0/s1 ChemAxon
Polar Surface Area (PSA) 101.88 ChemAxon
Refractivity 75.4 ChemAxon
Polarizability 25.39 ChemAxon
Rotatable Bond Count 1 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 19.3 ChemAxon
pKa (strongest basic) 6.98 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

  • Nitric oxide synthase, endothelial : in Human