2,4-Dichloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine - ≥97% , CAS No.928840-99-7

CAS: 928840-99-7 Cat. No.: D638470 Molecular Weight: 313.91 PubChem CID: 53302156

GRADE & PURITY ≥97%

Synonyms

7-iodo-2,4-dichloro pyrrolo[3,2-d]pyrimidine | SCHEMBL18040225 | SY322424 | EN300-115488 | FT-0745986 | MFCD11109825 | A859950 | PS-17324 | 2,4-dichloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine | DTXSID90693344 | AKOS015901380 | AC-28342 | PB13372 | AM20120690

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

7-iodo-2, 4-dichloro pyrrolo[3, 2-d]pyrimidine | SCHEMBL18040225 | SY322424 | EN300-115488 | FT-0745986 | MFCD11109825 | A859950 | PS-17324 | 2, 4-dichloro-7-iodo-5H-pyrrolo[3, 2-d]pyrimidine | DTXSID90693344 | AKOS015901380 | AC-28342 | PB13372 | AM20120690

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(C2=C(N1)C(=NC(=N2)Cl)Cl)I
• IUPAC Name: 2,4-dichloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine
• InChIKey: RDDFXIAEFUSRKU-UHFFFAOYSA-N
• INCHI: 1S/C6H2Cl2IN3/c7-5-4-3(2(9)1-10-4)11-6(8)12-5/h1,10H
• Isomeric SMILES: C1=C(C2=C(N1)C(=NC(=N2)Cl)Cl)I
• Alternate CAS: 928840-99-7
• PubChem CID: 53302156
• Molecular Weight: 313.91

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyrimidines
• Alternative Parents: 2-halopyrimidines Substituted pyrroles Aryl iodides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyrimidine - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Aryl iodide - Pyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

• Sensitivity: Light and moisture sensitive
• Molecular Weight: 313.910 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 312.867 Da
• Monoisotopic Mass: 312.867 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 182.000
• 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