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(5-methylpyrimidin-2-yl)methanol - 97%, high purity , CAS No.90905-61-6
Basic Description
Synonyms
(5-Methylpyrimidin-2-yl)methanol | 90905-61-6 | 2-HYDROXYMETHYL-5-METHYLPYRIMIDINE | 2-PYRIMIDINEMETHANOL, 5-METHYL- | MFCD10697091 | 2-pyrimidinemethanol,5-methyl- | SCHEMBL10417956 | DTXSID80630001 | (5-Methyl-2-pyrimidinyl)methanol | LZCRIKBXCJASPP-UHFFFAOYSA-N | AKOS0063
Specifications & Purity
≥97%
Storage Temp
Room temperature
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
Pyrimidines and pyrimidine derivatives
Alternative Parents
Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
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-methylpyrimidin-2-yl)methanol
INCHI
InChI=1S/C6H8N2O/c1-5-2-7-6(4-9)8-3-5/h2-3,9H,4H2,1H3
InChIKey
LZCRIKBXCJASPP-UHFFFAOYSA-N
Smiles
CC1=CN=C(N=C1)CO
Isomeric SMILES
CC1=CN=C(N=C1)CO
Molecular Weight
124.143
Reaxy-Rn
13638698
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13638698&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
124.140 g/mol
XLogP3
-0.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
124.064 Da
Monoisotopic Mass
124.064 Da
Topological Polar Surface Area
46.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
79.100
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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