Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.


Organic compounds

Organoheterocyclic compounds


Pyrimidines and pyrimidine derivatives

Calculated Property

kind Value Source
logP -1.2 ALOGPS
logS -0.58 ALOGPS
Water Solubility 3.78e+01 g/l ALOGPS
logP -0.35 ChemAxon
IUPAC Name diaminopyrimidine-4,6-diol ChemAxon
Traditional IUPAC Name diaminopyrimidine-4,6-diol ChemAxon
Molecular Weight 142.116 ChemAxon
Monoisotopic Weight 142.049075456 ChemAxon
SMILES NC1=NC(O)=C(N)C(O)=N1 ChemAxon
Molecular Formula C4H6N4O2 ChemAxon
InChI InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10) ChemAxon
Polar Surface Area (PSA) 118.28 ChemAxon
Refractivity 36.66 ChemAxon
Polarizability 12.33 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 6 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 12.91 ChemAxon
pKa (strongest basic) 0.41 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon