Tetrahydro-2-pyrimidinone - ≥97.0%(T) , CAS No.1852-17-1

CAS: 1852-17-1 Cat. No.: T162348 Molecular Weight: 100.12 Beilstein Registry Number: 107758 EC Number: 217-443-2 PubChem CID: 74615

GRADE & PURITY ≥97%(T)

Synonyms

3,4,5,6-tetrahydro-2-(1H)-pyrimidinone | 3,4,5,6-Tetrahydro-2(1H)-pyrimidinone | Tetrahydro-2(1H)-pyrimidinone # | HR-0301 | 1,3-diazinan-2-one | A812933 | 1-(prop-2-en-1-yl)-2,5-dihydro-1H-pyrrole-2,5-dione | Di-isopropylsulphate | tetrahydropyrimidin-2(

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3, 4, 5, 6-tetrahydro-2-(1H)-pyrimidinone | 3, 4, 5, 6-Tetrahydro-2(1H)-pyrimidinone | Tetrahydro-2(1H)-pyrimidinone # | HR-0301 | 1, 3-diazinan-2-one | A812933 | 1-(prop-2-en-1-yl)-2, 5-dihydro-1H-pyrrole-2, 5-dione | Di-isopropylsulphate | tetrahydropyrimidin-2(

Specifications & Purity

≥97.0%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Pubchem Sid: 488184949
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184949
• Canonical Smiles: C1CNC(=O)NC1
• IUPAC Name: 1,3-diazinan-2-one
• InChIKey: NQPJDJVGBDHCAD-UHFFFAOYSA-N
• INCHI: 1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)
• Isomeric SMILES: C1CNC(=O)NC1
• WGK Germany: 3
• RTECS: UW7539800
• PubChem CID: 74615
• Molecular Weight: 100.12
• Beilstein: 107758
• Reaxy-Rn: 107758

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: Diazinanes Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrimidone - 1,3-diazinane - Urea - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic 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

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

Associated Targets(Human)

MCF7 (126967 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Vero (26788 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 316.4 °F
• Flash Point(°C): 158 °C
• Melt Point(°C): 266℃
• Molecular Weight: 100.120 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.064 Da
• Monoisotopic Mass: 100.064 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 73.800
• 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

References

1. Cao Yong, Tang Sisi, Kong Weili, Wang Xinyu, He Xiaomin, Li Haibin, Jin Jie, Zhang Jun.  (2025)  Commercialized Cyclic (thio)urea for ring-opening polymerization of rac-lactide and ε-caprolactone.  JOURNAL OF POLYMER RESEARCH,  32  (11): (1-8).  [PMID:] [10.1007/s10965-025-04640-5]