Pyrimidine

HCID 9260CAS 25247-63-6

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Grundinformationen

Standard-SMILES: c1cncnc1
InChIKey: CZPWVGJYEJSRLH-UHFFFAOYSA-N
Summenformel: C4H4N2
Durchschnittliche Molmasse: 80,09 g/mol
Monoisotopische Masse: 80,03744813

Überblick

Pyrimidine is the parent compound of the pyrimidines; a diazine having the two nitrogens at the 1- and 3-positions. It has a role as a Daphnia magna metabolite. It is a diazine and a member of pyrimidines.

Namen und Bezeichner

Bevorzugter Name: Pyrimidine
IUPAC: pyrimidine
Englischer Name: pyrimidine
Summenformel: C4H4N2
Molmasse: 80.09

Namen und Synonyme

PYRIMIDINE289-95-21,3-DiazineMetadiazinem-DiazineMiazinePyrimidine base1,3-DiazinK8CXK5Q32LNSC-89305DTXSID1051228CHEBI:16898

Weitere Namen anzeigen

RefChem:6186DTXCID4029850206-026-01,3-DiazabenzeneMFCD00006059pyrimidine phase INSC89305pyrimidine phase II

Datenbank-Bezeichner

CAS: 25247-63-6、289-95-2
PubChem CID: 9260
DTXSID: DTXSID1051228
ChEMBL: CHEMBL15562
ChEBI: CHEBI:16898
UNII: K8CXK5Q32L
EC Number: 206-026-0
Nikkaji: J2.568B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 32,5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyrimidines

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP · 2 Einträge

-0.40

-0.34

Solubility1000 mg/mL at 25 °C

Melting Point22 °C

Vapor Pressure12.9 [mmHg]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (98.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P354+P338, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Pyrimidine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyrimidine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 13-11-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11327

Hazards SummaryFlammable; May cause irritation; [Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 3 (98.3%)