4-chloro-6-(morpholin-4-yl)pyrimidin-5-amine

• ChemBase ID: 13460
• Molecular Formular: C8H11ClN4O
• Molecular Mass: 214.65214
• Monoisotopic Mass: 214.06213867
• SMILES: c1(c(ncnc1N1CCOCC1)Cl)N
• Canonical SMILES: Nc1c(ncnc1Cl)N1CCOCC1
• InChI: InChI=1S/C8H11ClN4O/c9-7-6(10)8(12-5-11-7)13-1-3-14-4-2-13/h5H,1-4,10H2
• InChIKey: BKIARJNCNNZORY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-(morpholin-4-yl)pyrimidin-5-amine
• IUPAC Traditional name: 4-chloro-6-(morpholin-4-yl)pyrimidin-5-amine
• Synonyms: 4-Chloro-6-morpholin-4-yl-pyrimidin-5-ylamine

Database IDs

• CAS Number: 84762-69-6
• MDL Number: MFCD00473322
• PubChem SID: 160976767
• PubChem CID: 1081837

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5280477
• LogD (pH = 7.4): 0.5290199
• Log P: 0.5290323
• Molar Refractivity: 57.1054 cm^3
• Polarizability: 20.181696 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.263

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%