2,5-dimethylpyrimidin-4-amine

• ChemBase ID: 2113
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Cc1cnc(C)nc1N
• Canonical SMILES: Cc1ncc(c(n1)N)C
• InChI: InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9)
• InChIKey: UXKNAXNFIYFMIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 2,5-dimethylpyrimidin-4-amine; @2,5-dimethylpyrimidin-4-amine
• Synonyms: 2,5-Dimethylpyrimidin-4-Amine

Database IDs

• CAS Number: 73-70-1
• PubChem SID: 160965567; 46506022
• PubChem CID: 445779

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.029727582
• LogD (pH = 7.4): 0.8637737
• Log P: 0.9001918
• Molar Refractivity: 37.4018 cm^3
• Polarizability: 13.204996 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.4
• LOG S: -0.44
• Solubility (Water): 4.44e+01 g/l

PROPERTIES

Product Information

• Purity: 98%

DETAILS

DrugBank - DB02372

Drug information: experimental