2-(morpholin-4-yl)pyrimidin-5-amine

• ChemBase ID: 78320
• Molecular Formular: C8H12N4O
• Molecular Mass: 180.20708
• Monoisotopic Mass: 180.10111102
• SMILES: n1c(ncc(c1)N)N1CCOCC1
• Canonical SMILES: Nc1cnc(nc1)N1CCOCC1
• InChI: InChI=1S/C8H12N4O/c9-7-5-10-8(11-6-7)12-1-3-13-4-2-12/h5-6H,1-4,9H2
• InChIKey: LBLBLSPGRFRXOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)pyrimidin-5-amine
• IUPAC Traditional name: 2-(morpholin-4-yl)pyrimidin-5-amine
• Synonyms: 2-(Morpholin-4-yl)pyrimidin-5-amine; 5-Amino-2-(morpholin-4-yl)pyrimidine

Database IDs

• CAS Number: 65735-68-4
• MDL Number: MFCD10703512
• PubChem SID: 162043089
• PubChem CID: 12395471

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.21445039
• LogD (pH = 7.4): -0.21090646
• Log P: -0.21086107
• Molar Refractivity: 50.8718 cm^3
• Polarizability: 18.181597 Å^3
• Polar Surface Area: 64.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Air Sensitive/Store under Argon