2,5-Dimethylpyrimidin-4-Amine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino 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.

Aminopyrimidines and derivatives

Organic compounds

Organoheterocyclic compounds

Diazines

Pyrimidines and pyrimidine derivatives

Calculated Property

kind Value Source
logP 0.4 ALOGPS
logS -0.44 ALOGPS
Water Solubility 4.44e+01 g/l ALOGPS
logP 0.9 ChemAxon
IUPAC Name 2,5-dimethylpyrimidin-4-amine ChemAxon
Traditional IUPAC Name 2,5-dimethylpyrimidin-4-amine ChemAxon
Molecular Weight 123.1558 ChemAxon
Monoisotopic Weight 123.079647303 ChemAxon
SMILES CC1=CN=C(C)N=C1N ChemAxon
Molecular Formula C6H9N3 ChemAxon
InChI InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9) ChemAxon
InChIKey InChIKey=UXKNAXNFIYFMIB-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 51.8 ChemAxon
Refractivity 37.4 ChemAxon
Polarizability 13.28 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 1 ChemAxon
pKa (strongest basic) 6.35 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