N-(3-aminopropyl)-6-methyl-2-propylpyrimidin-4-amine

• ChemBase ID: 312168
• Molecular Formular: C11H20N4
• Molecular Mass: 208.3033
• Monoisotopic Mass: 208.16879666
• SMILES: n1c(cc(nc1CCC)C)NCCCN
• Canonical SMILES: CCCc1nc(NCCCN)cc(n1)C
• InChI: InChI=1S/C11H20N4/c1-3-5-10-14-9(2)8-11(15-10)13-7-4-6-12/h8H,3-7,12H2,1-2H3,(H,13,14,15)
• InChIKey: XMVFPODZSQSFQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminopropyl)-6-methyl-2-propylpyrimidin-4-amine
• IUPAC Traditional name: N-(3-aminopropyl)-6-methyl-2-propylpyrimidin-4-amine
• Synonyms: (3-aminopropyl)(6-methyl-2-propyl-4-pyrimidinyl)amine

Database IDs

• CAS Number: 915882-06-3
• MDL Number: MFCD08691838

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.2786741
• LogD (pH = 7.4): -1.1968108
• Log P: 1.2817137
• Molar Refractivity: 64.4886 cm^3
• Polarizability: 23.93591 Å^3
• Polar Surface Area: 63.83 Å^2