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5-Bromopyrimidine-2,4-diamine - 95%, high purity , CAS No.1004-01-9
Discover 5-Bromopyrimidine-2,4-diamine by Aladdin Scientific in 95% for only $1,470.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
5-BROMOPYRIMIDINE-2,4-DIAMINE | 1004-01-9 | 5-bromo-pyrimidine-2,4-diamine | SCHEMBL338455 | 2,4-diamino-5-bromo-pyrimidine | SUHXPSAYNUCJSC-UHFFFAOYSA-N | 2,4-Pyrimidinediamine, 5-bromo- | BAA00401 | MFCD11848482 | AKOS017518053 | SB55721 | D88191 | EN300-1264886 | A897451 | F9994-
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Halopyrimidines
Alternative Parents
Aminopyrimidines and derivatives Imidolactams Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Halopyrimidine - Aminopyrimidine - Imidolactam - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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
5-bromopyrimidine-2,4-diamine
INCHI
InChI=1S/C4H5BrN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
InChIKey
SUHXPSAYNUCJSC-UHFFFAOYSA-N
Smiles
C1=C(C(=NC(=N1)N)N)Br
Isomeric SMILES
C1=C(C(=NC(=N1)N)N)Br
Molecular Weight
189
Reaxy-Rn
4456
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4456&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
189.010 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
187.97 Da
Monoisotopic Mass
187.97 Da
Topological Polar Surface Area
77.800 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
98.600
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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