1，4，5，6-Tetrahydropyrimidine - ≥97% , CAS No.1606-49-1

CAS: 1606-49-1 Cat. No.: T132007 Molecular Weight: 84.12 EC Number: 626-665-2 PubChem CID: 137105

GRADE & PURITY ≥97%

Synonyms

FT-0675054 | NSC 72087 | PYRIMIDINE,1,4,5,6-TETRAHYDRO- | EN300-78028 | AKOS006220999 | AS-60543 | SB55535 | 1,4,5,6-Tetrahydropyrimidine | 1,4,5,6-tetrahydro-pyrimidine | NSC72087 | NSC-72087 | DTXSID70166945 | AMY22014 | Pyrimidine, 1,4,5,6-tetrahydro-

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

1,4,5,6-Tetrahydropyrimidine and its derivatives can act as neuromuscular blocking, cardiovascular, and anti-depressant agents.
A neuromuscular blocking agent

Specifications

Synonyms

FT-0675054 | NSC 72087 | PYRIMIDINE, 1, 4, 5, 6-TETRAHYDRO- | EN300-78028 | AKOS006220999 | AS-60543 | SB55535 | 1, 4, 5, 6-Tetrahydropyrimidine | 1, 4, 5, 6-tetrahydro-pyrimidine | NSC72087 | NSC-72087 | DTXSID70166945 | AMY22014 | Pyrimidine, 1, 4, 5, 6-tetrahydro-

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CNC=NC1
• IUPAC Name: 1,4,5,6-tetrahydropyrimidine
• InChIKey: VBXZSFNZVNDOPB-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2/c1-2-5-4-6-3-1/h4H,1-3H2,(H,5,6)
• Isomeric SMILES: C1CNC=NC1
• WGK Germany: 3
• PubChem CID: 137105
• Molecular Weight: 84.12

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: Hydropyrimidines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Formamidines Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Formamidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.).
• 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: Moisture sensitive
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Molecular Weight: 84.120 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 84.0687 Da
• Monoisotopic Mass: 84.0687 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 58.600
• 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