4,6-dimethylpyrimidin-2-amine

• ChemBase ID: 67650
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c1(nc(cc(n1)C)C)N
• Canonical SMILES: Cc1cc(C)nc(n1)N
• InChI: InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
• InChIKey: IDQNBVFPZMCDDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 2-amino-4,6-dimethylpyrimidine
• Synonyms: 4,6-Dimethyl-2-pyrimidinamine; 4,6-Dimethyl-2-aminopyrimidine; NSC 3278; Acetylacetoneguanidine; 2-Amino-4,6-dimethylpyrimidine; 2-Amino-4,6-dimethylpyrimidine; 4,6-dimethylpyrimidin-2-amine; ACETYLACETONE GUANIDINE; 乙酰丙酮胍; 2-氨基-4,6-二甲基嘧啶

Database IDs

• CAS Number: 767-15-7
• EC Number: 212-181-5
• MDL Number: MFCD00006102
• Beilstein Number: 110735
• PubChem SID: 162033385; 24846118; 24890955
• PubChem CID: 13021

CALCULATED PROPERTIES

• Acid pKa: 17.010822
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.08400092
• LogD (pH = 7.4): 0.15814559
• Log P: 0.16233586
• Molar Refractivity: 36.5517 cm^3
• Polarizability: 13.206214 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: off-white powder; White Crystalline Powder
• Melting Point: 150-155°C; 151-153 °C; 151-153 °C(lit.); 151-153°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• RTECS: UV6260496
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (NT); 95%; 95+%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C6H9N3

DETAILS

MP Biomedicals - 05215405

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A52005

Packaging
25 g in poly bottle