5,6-dimethyl-2-(N-methylformamido)pyrimidin-4-yl N,N-dimethylcarbamate

• ChemBase ID: 157298
• Molecular Formular: C11H16N4O3
• Molecular Mass: 252.26974
• Monoisotopic Mass: 252.12224039
• SMILES: Cc1c(nc(nc1OC(=O)N(C)C)N(C)C=O)C
• Canonical SMILES: O=CN(c1nc(OC(=O)N(C)C)c(c(n1)C)C)C
• InChI: InChI=1S/C11H16N4O3/c1-7-8(2)12-10(15(5)6-16)13-9(7)18-11(17)14(3)4/h6H,1-5H3
• InChIKey: GDEAMEURJBBCOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-2-(N-methylformamido)pyrimidin-4-yl N,N-dimethylcarbamate
• IUPAC Traditional name: 5,6-dimethyl-2-(N-methylformamido)pyrimidin-4-yl N,N-dimethylcarbamate
• Synonyms: 5,6-Dimethyl-2-(N-formylmethylamino)-4-pyrimidinyl dimethylcarbamate; Desmethyl-formamido-pirimicarb; 5,6-二甲基-2-(N-甲酰基甲氨基)-4-嘧啶基二甲基氨基甲酸酯; 脱甲基-甲酰氨基-抗蚜威

Database IDs

• CAS Number: 27218-04-8
• MDL Number: MFCD08460514
• PubChem SID: 24860582; 162251435
• PubChem CID: 185602

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.74189186
• LogD (pH = 7.4): 0.7419156
• Log P: 0.7419159
• Molar Refractivity: 65.7054 cm^3
• Polarizability: 24.4616 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 3

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-50/53
• Safety Statements: 45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H319-H400
• GHS Precautionary statements: P273-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C11H16N4O3

DETAILS

Sigma Aldrich - 33887

Legal Information
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