2-Methoxypyrimidin-5-amine - ≥98% , CAS No.56621-89-7

CAS: 56621-89-7 Cat. No.: M185255 Formula: C₅H₇N₃O Molecular Weight: 125.1 EC Number: 639-355-7

GRADE & PURITY ≥98%

Synonyms

AMY15645 | EN300-215666 | SY013575 | AKOS010387989 | HKHRENFWPKWVML-UHFFFAOYSA-N | 2-methoxy-5-pyrimidinamine | BCP22071 | 2-methoxypyrimidine-5-amine | 5-Amino-2-methoxypyrimidine | 5-PYRIMIDINAMINE, 2-METHOXY- | AB43671 | A831121 | SCHEMBL115475 | F1912

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

AMY15645 | EN300-215666 | SY013575 | AKOS010387989 | HKHRENFWPKWVML-UHFFFAOYSA-N | 2-methoxy-5-pyrimidinamine | BCP22071 | 2-methoxypyrimidine-5-amine | 5-Amino-2-methoxypyrimidine | 5-PYRIMIDINAMINE, 2-METHOXY- | AB43671 | A831121 | SCHEMBL115475 | F1912

Specifications & Purity

≥98%

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 508808477
• Canonical Smiles: COC1=NC=C(C=N1)N
• IUPAC Name: 2-methoxypyrimidin-5-amine
• InChIKey: HKHRENFWPKWVML-UHFFFAOYSA-N
• INCHI: 1S/C5H7N3O/c1-9-5-7-2-4(6)3-8-5/h2-3H,6H2,1H3
• Isomeric SMILES: COC1=NC=C(C=N1)N
• Molecular Weight: 125.1
• Reaxy-Rn: 637335
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637335&ln=

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: Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - 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

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: Light & Air sensitive
• Molecular Weight: 125.130 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 125.059 Da
• Monoisotopic Mass: 125.059 Da
• Topological Polar Surface Area: 61.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.300
• 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