N-(2-aminoethyl)-2-butyl-6-methylpyrimidin-4-amine

• ChemBase ID: 307790
• Molecular Formular: C11H20N4
• Molecular Mass: 208.3033
• Monoisotopic Mass: 208.16879666
• SMILES: n1c(cc(nc1CCCC)C)NCCN
• Canonical SMILES: CCCCc1nc(NCCN)cc(n1)C
• InChI: InChI=1S/C11H20N4/c1-3-4-5-10-14-9(2)8-11(15-10)13-7-6-12/h8H,3-7,12H2,1-2H3,(H,13,14,15)
• InChIKey: AIZJGZREFBSELN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-2-butyl-6-methylpyrimidin-4-amine
• IUPAC Traditional name: N-(2-aminoethyl)-2-butyl-6-methylpyrimidin-4-amine
• Synonyms: N-(2-butyl-6-methylpyrimidin-4-yl)ethane-1,2-diamine

Database IDs

• CAS Number: 915920-26-2
• MDL Number: MFCD08691668

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.8952546
• LogD (pH = 7.4): -0.6667846
• Log P: 1.6288975
• Molar Refractivity: 64.2242 cm^3
• Polarizability: 23.935875 Å^3
• Polar Surface Area: 63.83 Å^2