N2,N2,5,6-tetramethyl-N4-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine

• ChemBase ID: 603389
• Molecular Formular: C13H23N5O
• Molecular Mass: 265.35462
• Monoisotopic Mass: 265.19026038
• SMILES: n1c(nc(c(c1NCC1OCCNC1)C)C)N(C)C
• Canonical SMILES: Cc1nc(nc(c1C)NCC1CNCCO1)N(C)C
• InChI: InChI=1S/C13H23N5O/c1-9-10(2)16-13(18(3)4)17-12(9)15-8-11-7-14-5-6-19-11/h11,14H,5-8H2,1-4H3,(H,15,16,17)
• InChIKey: BQFKVNVYGNLOBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,5,6-tetramethyl-N4-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,5,6-tetramethyl-N4-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~,5,6-tetramethyl-N~4~-(morpholin-2-ylmethyl)pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.940899
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.3392746
• LogD (pH = 7.4): -0.30715322
• Log P: 1.0254557
• Molar Refractivity: 78.706 cm^3
• Polarizability: 28.729895 Å^3
• Polar Surface Area: 62.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.88
• LOG S: -1.73
• Polar Surface Area: 62.31 Å^2
• Rotatable Bonds: 4