2,4-dimethoxy-5-methylpyrimidine

• ChemBase ID: 135787
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: Cc1cnc(nc1OC)OC
• Canonical SMILES: COc1ncc(c(n1)OC)C
• InChI: InChI=1S/C7H10N2O2/c1-5-4-8-7(11-3)9-6(5)10-2/h4H,1-3H3
• InChIKey: QOKFHFUSIPXAJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-5-methylpyrimidine
• IUPAC Traditional name: 2,4-dimethoxy-5-methylpyrimidine
• Synonyms: 2,4-Dimethoxy-5-methylpyrimidine; 2,4-二甲氧基-5-甲基嘧啶

Database IDs

• CAS Number: 5151-34-8
• MDL Number: MFCD03424272
• PubChem SID: 162230059; 24882705
• PubChem CID: 579948

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5208071
• LogD (pH = 7.4): 1.5210547
• Log P: 1.5210578
• Molar Refractivity: 40.9494 cm^3
• Polarizability: 15.385997 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-62 °C(lit.)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-41-43; 36/37/38
• Safety Statements: 26-37; 37/39
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H317-H318; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C7H10N2O2