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4-Hydroxy-2-methylpyrimidine-5-carbonitrile - 95%, high purity , CAS No.27058-54-4

COA

Grade & Purity:

≥95%

Cas Number: 27058-54-4
Molecular Weight: 135.12
PubChem CID: 262084

In stock

Item Number

H192449

Grouped product items
SKU	Size	Availability	Price	Qty
H192449-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
H192449-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90

Discover 4-Hydroxy-2-methylpyrimidine-5-carbonitrile by Aladdin Scientific in 95% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-Hydroxy-2-methylpyrimidine-5-carbonitrile \| 27058-54-4 \| 2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile \| MFCD17018685 \| 5-Pyrimidinecarbonitrile, 1,4-dihydro-2-methyl-4-oxo- (8CI,9CI) \| NSC95369 \| SCHEMBL12726136 \| SCHEMBL23900415 \| AMY4790 \| DTXSID40294229 \| CBA05854 \| NSC-95
Specifications & Purity	≥95%
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	Pyrimidones
Alternative Parents	Hydropyrimidines Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Lactam - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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

IUPAC Name	2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
INCHI	InChI=1S/C6H5N3O/c1-4-8-3-5(2-7)6(10)9-4/h3H,1H3,(H,8,9,10)
InChIKey	GSPKYRXUBCRKIF-UHFFFAOYSA-N
Smiles	CC1=NC=C(C(=O)N1)C#N
Isomeric SMILES	CC1=NC=C(C(=O)N1)C#N
Molecular Weight	135.12
Reaxy-Rn	123836
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123836&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	135.120 g/mol
XLogP3	-0.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	135.043 Da
Monoisotopic Mass	135.043 Da
Topological Polar Surface Area	65.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	279.000
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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