1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione - ≥97% , CAS No.65996-50-1

CAS: 65996-50-1 Cat. No.: H194444 Peso molecular: 151.12 Número EC: 108-399-4

GRADE & PURITY ≥97%

Synonyms

1,5-Dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione, AldrichCPR | AKOS015854489 | METHIONINE [INN] | EN300-97496 | SCHEMBL3259988 | SCHEMBL1460186 | 1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione | DS-1459 | Tri(iodoethylate) de tri (beta diethylaminoethoxy)-1,2

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

1, 5-Dihydro-pyrrolo[3, 2-d]pyrimidine-2, 4-dione, AldrichCPR | AKOS015854489 | METHIONINE [INN] | EN300-97496 | SCHEMBL3259988 | SCHEMBL1460186 | 1H-Pyrrolo[3, 2-d]pyrimidine-2, 4(3H, 5H)-dione | DS-1459 | Tri(iodoethylate) de tri (beta diethylaminoethoxy)-1, 2

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759414
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759414
• Sonrisas canónicas: C1=CNC2=C1NC(=O)NC2=O
• IUPAC Name: 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
• InChIKey: BSRITDQWGPSXPQ-UHFFFAOYSA-N
• INCHI: 1S/C6H5N3O2/c10-5-4-3(1-2-7-4)8-6(11)9-5/h1-2,7H,(H2,8,9,10,11)
• Isómeros SMILES: C1=CNC2=C1NC(=O)NC2=O
• Peso molecular: 151.12
• Reaxy-Rn: 513590
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=513590&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyrimidines
• Alternative Parents: Pyrimidones Vinylogous amides Pyrroles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyrimidine - Pyrimidone - Pyrimidine - Pyrrole - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 151.120 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 151.038 Da
• Monoisotopic Mass: 151.038 Da
• Topological Polar Surface Area: 74.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 216.000
• 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