5-(1-aminoethyl)-4-methylpyrimidin-2-amine

• ChemBase ID: 265649
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: c1(c(nc(nc1)N)C)C(N)C
• Canonical SMILES: Nc1ncc(c(n1)C)C(N)C
• InChI: InChI=1S/C7H12N4/c1-4(8)6-3-10-7(9)11-5(6)2/h3-4H,8H2,1-2H3,(H2,9,10,11)
• InChIKey: GMVWRTAXMQPIBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-aminoethyl)-4-methylpyrimidin-2-amine
• IUPAC Traditional name: 5-(1-aminoethyl)-4-methylpyrimidin-2-amine
• Synonyms: 5-(1-aminoethyl)-4-methylpyrimidin-2-amine

Database IDs

• MDL Number: MFCD10686968
• PubChem SID: 164321559
• PubChem CID: 43810924

CALCULATED PROPERTIES

• Acid pKa: 16.767874
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.3840597
• LogD (pH = 7.4): -2.2546787
• Log P: -0.42669085
• Molar Refractivity: 44.8524 cm^3
• Polarizability: 16.6467 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.614

Product Information

• Purity: 95%