5-(4-methoxyphenyl)-N,N-dimethyl-4-(morpholin-2-yl)pyrimidin-2-amine hydrochloride

• ChemBase ID: 62186
• Molecular Formular: C17H23ClN4O2
• Molecular Mass: 350.84312
• Monoisotopic Mass: 350.15095368
• SMILES: n1c(ncc(c1C1OCCNC1)c1ccc(cc1)OC)N(C)C.Cl
• Canonical SMILES: COc1ccc(cc1)c1cnc(nc1C1CNCCO1)N(C)C.Cl
• InChI: InChI=1S/C17H22N4O2.ClH/c1-21(2)17-19-10-14(12-4-6-13(22-3)7-5-12)16(20-17)15-11-18-8-9-23-15;/h4-7,10,15,18H,8-9,11H2,1-3H3;1H
• InChIKey: DXAKZOABIAYBEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-N,N-dimethyl-4-(morpholin-2-yl)pyrimidin-2-amine hydrochloride
• IUPAC Traditional name: 5-(4-methoxyphenyl)-N,N-dimethyl-4-(morpholin-2-yl)pyrimidin-2-amine hydrochloride
• Synonyms: [5-(4-Methoxy-phenyl)-4-morpholin-2-yl-pyrimidin-2-yl]-dimethyl-amine hydrochloride

Database IDs

• MDL Number: MFCD21605823
• PubChem SID: 162027925
• PubChem CID: 71298571

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.4375696
• LogD (pH = 7.4): 1.293233
• Log P: 1.959396
• Molar Refractivity: 90.2419 cm^3
• Polarizability: 35.679073 Å^3
• Polar Surface Area: 59.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false