1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione

HCID 95961CAS 4160-72-9

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Grundinformationen

Standard-SMILES: Cc1cn(C)c(=O)[nH]c1=O
InChIKey: GKMIDMKPBOUSBQ-UHFFFAOYSA-N
Summenformel: C6H8N2O2
Durchschnittliche Molmasse: 140,14 g/mol
Monoisotopische Masse: 140,0585775

Überblick

1,5-dimethyluracil is a pyrimidone that is uracil with methyl group substituents at positions 1 and 5. It has a role as a metabolite. It is functionally related to a uracil.

Namen und Bezeichner

Bevorzugter Name: 1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
IUPAC: 1,5-dimethylpyrimidine-2,4-dione
Englischer Name: 1-Methylthymine
Summenformel: C6H8N2O2
Molmasse: 140.14

Namen und Synonyme

1-Methylthymine4160-72-9Uracil, 1,5-dimethyl-1,5-dimethylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1,5-dimethyl-CN6A9BRM5HNSC-44824DTXSID301944261,5-DIMETHYL-2,4(1H,3H)-PYRIMIDINEDIONERefChem:76420DTXCID401169171,5-Dimethyluracil

Weitere Namen anzeigen

1MT1,5-dimethylpyrimidine-2,4-quinone1,5-dimethyl-2,4(3H)-pyrimidinedione

1,5-dimethylpyrimidine-2,4(1h,3h)-dione4-hydroxy-1,5-dimethyl-1,2-dihydropyrimidin-2-one1-MethylHThymine,[methyl-3H]NSC 44824Uracil,5-dimethyl-2,4-Dihydroxy-1,5-dimethylpyrimidineN1-METHYLTHYMINE

Datenbank-Bezeichner

CAS: 4160-72-9
PubChem CID: 95961
DTXSID: DTXSID30194426
ChEMBL: CHEMBL4586019
ChEBI: CHEBI:74765
UNII: CN6A9BRM5H
EC Number: 853-778-6
Nikkaji: J209.464I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 49,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 220

Physikochemische Eigenschaften

storage temp.: 2 · 2-8°C
Henry's Law Constant: 1.7 · 1.7×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.