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2,4-Dihydroxypyrido[2,3-d]pyrimidine - 96%, high purity , CAS No.21038-66-4
Basic Description
Synonyms
Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione | 21038-66-4 | 1H-Pyrido[2,3-d]pyrimidine-2,4-dione | 2,4-Dihydroxypyrido[2,3-d]pyrimidine | pyrido[2,3-d]pyrimidine-2,4-diol | 1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione | MFCD08234704 | 2,4-DIHYDROXYPYRIDO(2,3-D)PYRIMIDINE |
Specifications & Purity
≥96%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Pyrido[2,3-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrido[2,3-d]pyrimidines
Alternative Parents
Pyrimidones Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[2,3-d]pyrimidine - Pyrimidone - Pyridine - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
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.
Names and Identifiers
IUPAC Name
1H-pyrido[2,3-d]pyrimidine-2,4-dione
INCHI
InChI=1S/C7H5N3O2/c11-6-4-2-1-3-8-5(4)9-7(12)10-6/h1-3H,(H2,8,9,10,11,12)
InChIKey
JQPYINKVAWEQDQ-UHFFFAOYSA-N
Smiles
C1=CC2=C(NC(=O)NC2=O)N=C1
Isomeric SMILES
C1=CC2=C(NC(=O)NC2=O)N=C1
Molecular Weight
163.13
Reaxy-Rn
8138
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8138&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
163.130 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
163.038 Da
Monoisotopic Mass
163.038 Da
Topological Polar Surface Area
71.100 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
229.000
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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H2416132