6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

HCID 853899CAS 41862-09-3

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCn1c(N)cc(=O)[nH]c1=O
InChIKey: QHEMDIZENXAVRQ-UHFFFAOYSA-N
Summenformel: C6H9N3O2
Durchschnittliche Molmasse: 155,15 g/mol
Monoisotopische Masse: 155,06947654

Namen und Bezeichner

Bevorzugter Name: 6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC: 6-amino-1-ethylpyrimidine-2,4-dione
Englischer Name: 6-Amino-1-ethyl-1H-pyrimidine-2,4-dione
Summenformel: C6H9N3O2
Molmasse: 155.15

Namen und Synonyme

6-amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneRefChem:540085667-716-941862-09-36-amino-1-ethylpyrimidine-2,4(1H,3H)-dione6-Amino-1-ethyl-1H-pyrimidine-2,4-dione1-ethyl-6-aminouracil6-amino-1-ethylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 6-amino-1-ethyl-MFCD000919256-amino-1-ethyl-1,3-dihydropyrimidine-2,4-dioneOprea1_846044

Weitere Namen anzeigen

1 Ethyl 6 aminouracil,1Ethyl6aminouracil6-Amino-1-ethyl-2,4(1H,3H)-pyrimidinedione

SCHEMBL243853orb1298781SCHEMBL1697130CHEMBL4095390DTXSID70357513QHEMDIZENXAVRQ-UHFFFAOYSA-NALBB-021882BBL003826

Datenbank-Bezeichner

CAS: 41862-09-3
PubChem CID: 853899
DTXSID: DTXSID70357513
ChEMBL: CHEMBL4095390
EC Number: 667-716-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,9
Polarare Oberfläche (TPSA): 75,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 234

Physikochemische Eigenschaften

Schmelzpunkt: 282 °C · 282 °C (decomp)
Dichte: 1.261 · 1.261±0.06 g/cm3(Predicted)
pka: 9.23 · 9.23±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Ethyl-6-aminouracil, is an intermediate in the synthesis of a series of new substituted Xanthines which have high affinity and selectivity for the human adenosine A2B receptors, and thus can be used as clinical candidate for chronic inflammatory airway diseases.