2,6-dimethylpyrimidin-4-amine

• ChemBase ID: 107072
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: Cc1cc(N)nc(C)n1
• Canonical SMILES: Cc1cc(N)nc(n1)C
• InChI: InChI=1S/C6H9N3/c1-4-3-6(7)9-5(2)8-4/h3H,1-2H3,(H2,7,8,9)
• InChIKey: BJJDXAFKCKSLTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 2,6-dimethyl-4-pyrimidinamine
• Synonyms: 6-AMINO-2,4-DIMETHYLPYRIMIDINE; 2,6-Dimethyl-pyrimidin-4-ylamine; 4-Amino-2,6-dimethylpyrimidine; 2,6-dimethylpyrimidin-4-amine; 4-Amino-2,6-dimethylpyrimidine; 4-氨基-2,6-二甲基嘧啶

Database IDs

• CAS Number: 461-98-3
• EC Number: 207-320-1
• MDL Number: MFCD00006106
• Merck Index: 145326
• PubChem SID: 162093360
• PubChem CID: 68039

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.079098
• LogD (pH = 7.4): 0.3709402
• Log P: 0.6011128
• Molar Refractivity: 36.9521 cm^3
• Polarizability: 13.203514 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO
• Apperance: White to Off-White Solid
• Melting Point: 183-184°C; 184-186°C
• Hydrophobicity(logP): 0.674

Safety Information

• Storage Condition: -20°C Freezer
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 99%