6-(2-aminoethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine

• ChemBase ID: 683634
• Molecular Formular: C14H24N4O
• Molecular Mass: 264.36656
• Monoisotopic Mass: 264.19501141
• SMILES: c1(nc(nc(c1)CCN)C)N(CC1OCCCC1)C
• Canonical SMILES: NCCc1cc(nc(n1)C)N(CC1CCCCO1)C
• InChI: InChI=1S/C14H24N4O/c1-11-16-12(6-7-15)9-14(17-11)18(2)10-13-5-3-4-8-19-13/h9,13H,3-8,10,15H2,1-2H3
• InChIKey: IYHVRZPIIPFWLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-aminoethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
• IUPAC Traditional name: 6-(2-aminoethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
• Synonyms: 6-(2-aminoethyl)-N,2-dimethyl-N-(tetrahydro-2H-pyran-2-ylmethyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7502943
• LogD (pH = 7.4): -0.5373668
• Log P: 1.6024743
• Molar Refractivity: 77.5951 cm^3
• Polarizability: 29.423162 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.5
• LOG S: -0.55
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 5