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2-(Chloromethyl)-4h-pyrido[1,2-a]pyrimidin-4-one - 98%, high purity , CAS No.16867-35-9
Discover 2-(Chloromethyl)-4h-pyrido[1,2-a]pyrimidin-4-one by Aladdin Scientific in 98% for only $374.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-(chloromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one | 16867-35-9 | 2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one | SCHEMBL890385 | 4H-Pyrido[1,2-a]pyrimidin-4-one,2-(chloromethyl)- | 2-(chloromethyl)-5-hydropyridino[1,2-a]pyrimidin-4-one | DTXSID40408965 | QANDFEYEAYUSKD-U
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridopyrimidines
Alternative Parents
Pyrimidones Pyridines and derivatives Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Pyrimidone - Pyridine - Pyrimidine - Heteroaromatic compound - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a 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.
Names and Identifiers
IUPAC Name
2-(chloromethyl)pyrido[1,2-a]pyrimidin-4-one
INCHI
InChI=1S/C9H7ClN2O/c10-6-7-5-9(13)12-4-2-1-3-8(12)11-7/h1-5H,6H2
InChIKey
QANDFEYEAYUSKD-UHFFFAOYSA-N
Smiles
C1=CC2=NC(=CC(=O)N2C=C1)CCl
Isomeric SMILES
C1=CC2=NC(=CC(=O)N2C=C1)CCl
Molecular Weight
194.6
Reaxy-Rn
777824
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=777824&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
194.620 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
194.025 Da
Monoisotopic Mass
194.025 Da
Topological Polar Surface Area
32.700 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
366.000
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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