4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine

• ChemBase ID: 157897
• Molecular Formular: C14H15N3
• Molecular Mass: 225.289
• Monoisotopic Mass: 225.1265975
• SMILES: Cc1cc(nc(n1)Nc1ccccc1)C1CC1
• Canonical SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1
• InChI: InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
• InChIKey: HAORKNGNJCEJBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
• IUPAC Traditional name: cyprodinil
• Synonyms: 4-Cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine; Cyprodinil; 4-Cyclopropyl-6-methyl-N-phenyl-2-pyrimidinamine; CGA 219417; Chorus 75WG; Unix; Vangard; Cyprodinil; 4-环丙基-6-甲基-N-苯基嘧啶-2-胺; 嘧菌环胺

Database IDs

• CAS Number: 121552-61-2
• MDL Number: MFCD01632330
• Beilstein Number: 7813601
• PubChem SID: 162252033; 24861215
• PubChem CID: 86367

CALCULATED PROPERTIES

• Acid pKa: 13.630234
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2052543
• LogD (pH = 7.4): 3.210911
• Log P: 3.2109838
• Molar Refractivity: 67.7367 cm^3
• Polarizability: 25.757114 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/38-43
• Safety Statements: 26-36
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C14H15N3

DETAILS

Sigma Aldrich - 34389

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - C989060

Cyprodinil is a broad-spectrum fungicide of the class of pyrimidinamines. It is commonly used for protection of cereal crops and fruits against fungal infections.

REFERENCES

• Heye, U.J. et al.: Bright. Crop Prot. Conf., Pests Dis., 2, 501 (1994)
• Boric, B. et al.: Pesticidi, 12, 277 (1994)
• Knauf-Beiter, G. et al.: Plant Dis., 79, 1098 (1994)