N4,N4,5-trimethyl-N2-{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl}pyrimidine-2,4-diamine

• ChemBase ID: 564882
• Molecular Formular: C15H22N6OS
• Molecular Mass: 334.43978
• Monoisotopic Mass: 334.15758035
• SMILES: c1(nc(cs1)CNc1nc(c(cn1)C)N(C)C)N1CCOCC1
• Canonical SMILES: CN(c1nc(NCc2csc(n2)N2CCOCC2)ncc1C)C
• InChI: InChI=1S/C15H22N6OS/c1-11-8-16-14(19-13(11)20(2)3)17-9-12-10-23-15(18-12)21-4-6-22-7-5-21/h8,10H,4-7,9H2,1-3H3,(H,16,17,19)
• InChIKey: FHDNOAJQGLRWQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4,N4,5-trimethyl-N2-{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl}pyrimidine-2,4-diamine
• IUPAC Traditional name: N4,N4,5-trimethyl-N2-{[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methyl}pyrimidine-2,4-diamine
• Synonyms: N~4~,N~4~,5-trimethyl-N~2~-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.60665
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 1.3080378
• LogD (pH = 7.4): 2.34264
• Log P: 2.4557536
• Molar Refractivity: 94.9206 cm^3
• Polarizability: 33.98369 Å^3
• Polar Surface Area: 66.41 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: 2.11
• LOG S: -3.44
• Polar Surface Area: 66.41 Å^2
• Rotatable Bonds: 5