N,6-dimethyl-2-(morpholin-4-yl)-N-(thiophen-3-ylmethyl)pyrimidin-4-amine

• ChemBase ID: 588776
• Molecular Formular: C15H20N4OS
• Molecular Mass: 304.4105
• Monoisotopic Mass: 304.13578228
• SMILES: n1c(nc(cc1N(Cc1cscc1)C)C)N1CCOCC1
• Canonical SMILES: Cc1cc(nc(n1)N1CCOCC1)N(Cc1cscc1)C
• InChI: InChI=1S/C15H20N4OS/c1-12-9-14(18(2)10-13-3-8-21-11-13)17-15(16-12)19-4-6-20-7-5-19/h3,8-9,11H,4-7,10H2,1-2H3
• InChIKey: AKMYSJRAZBUUCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-2-(morpholin-4-yl)-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
• IUPAC Traditional name: N,6-dimethyl-2-(morpholin-4-yl)-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
• Synonyms: N,6-dimethyl-2-morpholin-4-yl-N-(3-thienylmethyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2454876
• LogD (pH = 7.4): 2.556397
• Log P: 2.9568515
• Molar Refractivity: 87.2234 cm^3
• Polarizability: 31.848104 Å^3
• Polar Surface Area: 41.49 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: 3.07
• LOG S: -4.04
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4