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2-Aminopyrimidine-5-carboxaldehyde - 97%, high purity , CAS No.120747-84-4

COA

Grade & Purity:

≥97%

Cas Number: 120747-84-4
Molecular Weight: 123.11
MDL number: MFCD03701714
PubChem CID: 769097
PubChem SID: 488191454

In stock

Item Number

A123166

Grouped product items
SKU	Size	Availability	Price
A123166-250mg	250mg	4	$47.90
A123166-1g	1g	4	$146.90
A123166-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$658.90

Basic Description

Synonyms	BCP27591 \| BB 0240267 \| FT-0646875 \| EN300-130565 \| VU0549469-1 \| 5-PYRIMIDINECARBOXALDEHYDE, 2-AMINO- \| 2-Amino-pyrimidine-5-carbaldehyde \| 2-Aminopyrimidine-5-carbaldehyde \| DS-11057 \| PB12291 \| SCHEMBL528074 \| 2-AMINO-5-PYRIMIDINECARBOXALDEHYDE \| 2-Ami
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Aminopyrimidines and derivatives
Alternative Parents	Aryl-aldehydes Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-aldehyde - Aminopyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aldehyde - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached 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
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

Names and Identifiers

Pubchem Sid	488191454
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191454
IUPAC Name	2-aminopyrimidine-5-carbaldehyde
INCHI	InChI=1S/C5H5N3O/c6-5-7-1-4(3-9)2-8-5/h1-3H,(H2,6,7,8)
InChIKey	DPOYRRAYGKTRAU-UHFFFAOYSA-N
Smiles	C1=C(C=NC(=N1)N)C=O
Isomeric SMILES	C1=C(C=NC(=N1)N)C=O
WGK Germany	3
Molecular Weight	123.11
Reaxy-Rn	3602378
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3602378&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H1603081	Certificate of Analysis	Mar 08, 2024	A123166
C2302436	Certificate of Analysis	Mar 15, 2023	A123166
C2302435	Certificate of Analysis	Mar 14, 2023	A123166

Chemical and Physical Properties

Melt Point(°C)	209-214°C
Molecular Weight	123.110 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	123.043 Da
Monoisotopic Mass	123.043 Da
Topological Polar Surface Area	68.900 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	98.400
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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