6-(2-aminoethyl)-2-methyl-N-[3-(morpholin-4-yl)propyl]pyrimidin-4-amine

• ChemBase ID: 831935
• Molecular Formular: C14H25N5O
• Molecular Mass: 279.3812
• Monoisotopic Mass: 279.20591045
• SMILES: n1c(cc(nc1C)CCN)NCCCN1CCOCC1
• Canonical SMILES: NCCc1cc(NCCCN2CCOCC2)nc(n1)C
• InChI: InChI=1S/C14H25N5O/c1-12-17-13(3-4-15)11-14(18-12)16-5-2-6-19-7-9-20-10-8-19/h11H,2-10,15H2,1H3,(H,16,17,18)
• InChIKey: CDXFMYOWSXDJIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-aminoethyl)-2-methyl-N-[3-(morpholin-4-yl)propyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-(2-aminoethyl)-2-methyl-N-[3-(morpholin-4-yl)propyl]pyrimidin-4-amine
• Synonyms: 6-(2-aminoethyl)-2-methyl-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: -0.15
• LOG S: -0.1
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 2

JChem

• Molar Refractivity: 82.4636 cm^3
• Polarizability: 30.951506 Å^3
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -4.9357233
• LogD (pH = 7.4): -2.2986004
• Log P: 0.0010570033