N-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]-4-pyrimidinamine - ≥95% , CAS No.18037-10-0

CAS: 18037-10-0 Cat. No.: N1062350 Molecular Weight: 255.468 EC Number: 241-945-0 PubChem CID: 87420

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)NC1=NC(=NC=C1)O[Si](C)(C)C
• IUPAC Name: N-trimethylsilyl-2-trimethylsilyloxypyrimidin-4-amine
• InChIKey: IWEHUWMQLZFGLL-UHFFFAOYSA-N
• INCHI: 1S/C10H21N3OSi2/c1-15(2,3)13-9-7-8-11-10(12-9)14-16(4,5)6/h7-8H,1-6H3,(H,11,12,13)
• Isomeric SMILES: C[Si](C)(C)NC1=NC(=NC=C1)O[Si](C)(C)C
• PubChem CID: 87420
• Molecular Weight: 255.468

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidines and pyrimidine derivatives
• Alternative Parents: Imidolactams Trialkylheterosilanes Heteroaromatic compounds Organic metalloid salts N-silyl compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine - Imidolactam - Heteroaromatic compound - Trialkylheterosilane - N-silyl compound - Organic metalloid salt - Azacycle - Organoheterosilane - Organooxygen compound - Organonitrogen compound - Organic salt - Organosilicon compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
• 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

• Boil Point(°C): 123°
• Molecular Weight: 255.460 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 255.122 Da
• Monoisotopic Mass: 255.122 Da
• Topological Polar Surface Area: 47.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 225.000
• 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

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