5-(ethoxymethyl)-2-methylpyrimidin-4-amine

• ChemBase ID: 160127
• Molecular Formular: C8H13N3O
• Molecular Mass: 167.20832
• Monoisotopic Mass: 167.10586205
• SMILES: c1(nc(c(cn1)COCC)N)C
• Canonical SMILES: CCOCc1cnc(nc1N)C
• InChI: InChI=1S/C8H13N3O/c1-3-12-5-7-4-10-6(2)11-8(7)9/h4H,3,5H2,1-2H3,(H2,9,10,11)
• InChIKey: KEYFHYRXUHGMLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(ethoxymethyl)-2-methylpyrimidin-4-amine
• IUPAC Traditional name: 5-(ethoxymethyl)-2-methylpyrimidin-4-amine
• Synonyms: 5-Ethoxymethyl-2-methyl-4-pyrimidinamine; 4-Amino-5-ethoxymethyl-2-methylpyrimidine

Database IDs

• PubChem SID: 162254262
• PubChem CID: 66149

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.16528371
• LogD (pH = 7.4): 0.5377182
• Log P: 0.5622165
• Molar Refractivity: 48.6763 cm^3
• Polarizability: 17.66064 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Off-white Solid

DETAILS

Toronto Research Chemicals - A609035

A pyrimidine derivative as G protein-coupled receptor kinase (GRK) inhibitor.