Phenyl (4,6-Dimethoxy-2-pyrimidinyl)carbamate - ≥98% , CAS No.89392-03-0

CAS: 89392-03-0 Cat. No.: P160459 Molecular Weight: 275.26 EC Number: 618-270-9 PubChem CID: 10945667

GRADE & PURITY ≥98%

Synonyms

Phenyl-4,6-dimethoxy-2 -pyrimidylamino formate | Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester | AM20050157 | Phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate | phenyl(4,6-dimethoxypyrimidin-2-yl)carbamate | phenyl(4,6-dimethoxypyrimidin-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Phenyl-4, 6-dimethoxy-2 -pyrimidylamino formate | Carbamic acid, N-(4, 6-dimethoxy-2-pyrimidinyl)-, phenyl ester | AM20050157 | Phenyl N-(4, 6-dimethoxypyrimidin-2-yl)carbamate | phenyl(4, 6-dimethoxypyrimidin-2-yl)carbamate | phenyl(4, 6-dimethoxypyrimidin-2-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196964
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196964
• Canonical Smiles: COC1=CC(=NC(=N1)NC(=O)OC2=CC=CC=C2)OC
• IUPAC Name: phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
• InChIKey: MESPVSMSORHLAX-UHFFFAOYSA-N
• INCHI: 1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
• Isomeric SMILES: COC1=CC(=NC(=N1)NC(=O)OC2=CC=CC=C2)OC
• PubChem CID: 10945667
• Molecular Weight: 275.26
• Reaxy-Rn: 3620261

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Alkyl aryl ether - Pyrimidine - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
• 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

Chemical and Physical Properties

• Melt Point(°C): 120 °C
• Molecular Weight: 275.260 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 275.091 Da
• Monoisotopic Mass: 275.091 Da
• Topological Polar Surface Area: 82.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 298.000
• 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