4-Amino-5-aminomethyl-2-methylpyrimidine - ≥97% , CAS No.95-02-3

CAS: 95-02-3 Cat. No.: A188569 Molecular Weight: 138.2 EC Number: 202-384-7

GRADE & PURITY ≥97%

Synonyms

EC 202-384-7 | AKOS005206902 | 2-methyl-4-amino-5-aminomethyl pyrimidine | 5-(Aminomethyl)-2-methyl-4-pyrimidinamine # | 5-Pyrimidinemethanamine, 4-amino-2-methyl- | 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE | DB03204 | A2633 | SCHEMBL478879 | 2-Methyl-4-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

EC 202-384-7 | AKOS005206902 | 2-methyl-4-amino-5-aminomethyl pyrimidine | 5-(Aminomethyl)-2-methyl-4-pyrimidinamine # | 5-Pyrimidinemethanamine, 4-amino-2-methyl- | 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE | DB03204 | A2633 | SCHEMBL478879 | 2-Methyl-4-

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

TenA enzyme substrate. Active in the thiamin salvage pathway. Hydrolyses 4-amino-5-aminomethyl-2-methylpyrimidine.

Storage

Room temperature, Argon charged

Shipped In

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488183847
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183847
• Canonical Smiles: CC1=NC=C(C(=N1)N)CN
• IUPAC Name: 5-(aminomethyl)-2-methylpyrimidin-4-amine
• InChIKey: OZOHTVFCSKFMLL-UHFFFAOYSA-N
• INCHI: 1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)
• Isomeric SMILES: CC1=NC=C(C(=N1)N)CN
• Molecular Weight: 138.2
• Reaxy-Rn: 126861
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=126861&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Imidolactams Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Imidolactam - Pyrimidine - Hydropyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: aminopyrimidine

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 128 °C
• Molecular Weight: 138.170 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 138.091 Da
• Monoisotopic Mass: 138.091 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 106.000
• 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