5-ethyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

• ChemBase ID: 541793
• Molecular Formular: C13H22N4
• Molecular Mass: 234.34058
• Monoisotopic Mass: 234.18444672
• SMILES: n1c(c(cnc1C)CC)NCC1CNCCC1
• Canonical SMILES: CCc1cnc(nc1NCC1CCCNC1)C
• InChI: InChI=1S/C13H22N4/c1-3-12-9-15-10(2)17-13(12)16-8-11-5-4-6-14-7-11/h9,11,14H,3-8H2,1-2H3,(H,15,16,17)
• InChIKey: FRIVSJIELNYEHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
• IUPAC Traditional name: 5-ethyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
• Synonyms: 5-ethyl-2-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.3260026
• LogD (pH = 7.4): -0.94343823
• Log P: 1.7575661
• Molar Refractivity: 72.3718 cm^3
• Polarizability: 26.892288 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.26
• LOG S: -1.83
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 4