N4-(furan-2-ylmethyl)-N2,N2,N4,5,6-pentamethylpyrimidine-2,4-diamine

• ChemBase ID: 490844
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: n1c(c(c(nc1N(C)C)C)C)N(Cc1occc1)C
• Canonical SMILES: CN(c1nc(nc(c1C)C)N(C)C)Cc1ccco1
• InChI: InChI=1S/C14H20N4O/c1-10-11(2)15-14(17(3)4)16-13(10)18(5)9-12-7-6-8-19-12/h6-8H,9H2,1-5H3
• InChIKey: JNRYYBHPYMIQGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-(furan-2-ylmethyl)-N2,N2,N4,5,6-pentamethylpyrimidine-2,4-diamine
• IUPAC Traditional name: N4-(furan-2-ylmethyl)-N2,N2,N4,5,6-pentamethylpyrimidine-2,4-diamine
• Synonyms: N~4~-(2-furylmethyl)-N~2~,N~2~,N~4~,5,6-pentamethylpyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3228513
• LogD (pH = 7.4): 2.6498332
• Log P: 2.968578
• Molar Refractivity: 78.4752 cm^3
• Polarizability: 28.165745 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.39
• LOG S: -4.0
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4