5-(aminomethyl)-2-ethylpyrimidin-4-amine

• ChemBase ID: 277065
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: n1c(c(cnc1CC)CN)N
• Canonical SMILES: CCc1ncc(c(n1)N)CN
• InChI: InChI=1S/C7H12N4/c1-2-6-10-4-5(3-8)7(9)11-6/h4H,2-3,8H2,1H3,(H2,9,10,11)
• InChIKey: PYPKAWOQNRFELL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-2-ethylpyrimidin-4-amine
• IUPAC Traditional name: 5-(aminomethyl)-2-ethylpyrimidin-4-amine
• Synonyms: 5-(aminomethyl)-2-ethylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD19686308
• PubChem SID: 164332975
• PubChem CID: 20268147

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.645479
• LogD (pH = 7.4): -0.9423018
• Log P: 0.181479
• Molar Refractivity: 45.4609 cm^3
• Polarizability: 16.643888 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.949

Product Information

• Purity: 95%