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

HCID 73267

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Basic information

CAS: 4212-49-1
Standard SMILES: CCc1c[nH]c(=O)[nH]c1=O
InChIKey: RHIULBJJKFDJPR-UHFFFAOYSA-N
Molecular formula: C6H8N2O2
Average molar mass: 140.14 g/mol
Monoisotopic mass: 140.0585775

Names & identifiers

Preferred name: 5-Ethyl-2,4(1H,3H)-pyrimidinedione
IUPAC: 5-ethyl-1H-pyrimidine-2,4-dione
English name: 5-Ethyluracil
Molecular formula: C6H8N2O2
Molecular weight: 140.14

Names & synonyms

5-Ethyluracil4212-49-1DTXSID601949595-ethyl-2,4(1H,3H)-pyrimidinedioneRefChem:535584DTXCID50117450443-780-1622-736-75-Ethyl uracil5-ethyl-1H-pyrimidine-2,4-dione2,4-Dihydroxy-5-ethylpyrimidineMFCD00079187

Show more names

AURORA KA-5805-ethvluracil5-Ethyluracil>5-Ethyluracil, 98+%5-Ethyluracil USP/EP/BPDIHYDROXY-5-ETHYLPYRIMIDINE

5-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 5-ethyl-5-ethylpyrimidine-2,4(1h,3h)-dioneHomothymineUracil, 5-ethyl-5-ethyl-1,3-dihydropyrimidine-2,4-dioneSCHEMBL161148SCHEMBL3138242

Database identifiers

CAS: 4212-49-1
PubChem CID: 73267
DTXSID: DTXSID60194959
EC Number: 443-780-1、622-736-7
Nikkaji: J284.220C

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 208

Physicochemical properties

Melting point: 300 °C · >300 °C(lit.)
Density: 1.164 · 1.164±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 9.21 · 9.21±0.10(Predicted)
color: White to Light yellow
λmax: 265 nm · 265nm(EtOH)(lit.)
BRN: 119494 · 119494
InChI: InChI=1S/C6H8N2O2/c1-2-4-3-7-6(10)8-5(4)9/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKey: RHIULBJJKFDJPR-UHFFFAOYSA-N
SMILES: C1(=O)NC=C(CC)C(=O)N1
CAS DataBase Reference: 4212 · 4212-49-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 29335990 · 29335990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

wgk: 3
hs_code: 29335990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362