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(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one - 95%, high purity , CAS No.877676-50-1
Basic Description
Synonyms
(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one | (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one | AKOS022172475 | MFCD16621126 | RKXHCGYXHHPYHQ-MRVPVSSYSA-N | TQ0268 | (7R)-2-chloro-7-ethyl-5-methyl-8-(propan-2-yl)
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pteridines and derivatives
Alternative Parents
Alpha amino acids and derivatives Dialkylarylamines 2-halopyrimidines Imidolactams Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pteridine - Dialkylarylamine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
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
(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
INCHI
InChI=1S/C12H17ClN4O/c1-5-8-11(18)16(4)9-6-14-12(13)15-10(9)17(8)7(2)3/h6-8H,5H2,1-4H3/t8-/m1/s1
InChIKey
RKXHCGYXHHPYHQ-MRVPVSSYSA-N
Smiles
CCC1C(=O)N(C2=CN=C(N=C2N1C(C)C)Cl)C
Isomeric SMILES
CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)Cl)C
PubChem CID
58405561
Molecular Weight
268.74
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
268.740 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
268.109 Da
Monoisotopic Mass
268.109 Da
Topological Polar Surface Area
49.300 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
325.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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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