N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-2-amine - ≥97% , CAS No.1275699-51-8

CAS: 1275699-51-8 Cat. No.: N628063 Peso molecular: 245.28 PubChem CID: 55026262

GRADE & PURITY ≥97%

Synonyms

N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-2-amine | 1275699-51-8 | n-((2,4-dimethoxyphenyl)methyl)pyrimidin-2-amine | SCHEMBL319266 | MFCD19106593 | AKOS006034850 | BS-43281 | N-(2,4-dimethoxybenzyl)pyrimidin-2-amine | (2,4-dimethoxybenzyl)-pyrimidin-2-yl-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-[(2, 4-dimethoxyphenyl)methyl]pyrimidin-2-amine | 1275699-51-8 | n-((2, 4-dimethoxyphenyl)methyl)pyrimidin-2-amine | SCHEMBL319266 | MFCD19106593 | AKOS006034850 | BS-43281 | N-(2, 4-dimethoxybenzyl)pyrimidin-2-amine | (2, 4-dimethoxybenzyl)-pyrimidin-2-yl-

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC(=C(C=C1)CNC2=NC=CC=N2)OC
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
• InChIKey: LYKHJQWZCXZBTG-UHFFFAOYSA-N
• INCHI: 1S/C13H15N3O2/c1-17-11-5-4-10(12(8-11)18-2)9-16-13-14-6-3-7-15-13/h3-8H,9H2,1-2H3,(H,14,15,16)
• Isómeros SMILES: COC1=CC(=C(C=C1)CNC2=NC=CC=N2)OC
• PubChem CID: 55026262
• Peso molecular: 245.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Benzylamines Anisoles Secondary alkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenoxy compound - Benzylamine - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Heteroaromatic compound - Secondary amine - Ether - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 245.280 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 245.116 Da
• Monoisotopic Mass: 245.116 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 234.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1