5,6-Diamino-1,3-diethyluracil

HCID 4572133

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Basic information

CAS: 52998-22-8
Standard SMILES: CCn1c(N)c(N)c(=O)n(CC)c1=O
InChIKey: UYSUETCFMBIADB-UHFFFAOYSA-N
Molecular formula: C8H14N4O2
Average molar mass: 198.22 g/mol
Monoisotopic mass: 198.11167569

Names & identifiers

Preferred name: 5,6-Diamino-1,3-diethyluracil
IUPAC: 5,6-diamino-1,3-diethylpyrimidine-2,4-dione
English name: 1,3-Diethyl-5,6-diaminouracil
Molecular formula: C8H14N4O2
Molecular weight: 198.22

Names & synonyms

52998-22-85,6-diamino-1,3-diethyluracilDTXSID90404391RefChem:298549DTXCID603552451,3-DIETHYL-5,6-DIAMINOURACIL5,6-Diamino-1,3-diethylpyrimidine-2,4(1H,3H)-dione5,6-diamino-1,3-diethylpyrimidine-2,4-dione5,6-diamino-1,3-diethyl-2,4(1H,3H)-pyrimidinedioneMFCD000918382,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1,3-diethyl-5,6-diamino-1,3-diethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Show more names

3-DIETHYL-5,6-DIAMINOURACIL1,3-Diethyl-5,6-aminouracil1,3-diethyl-5,6-diaminouracil hydrochloride1:5,6-diamino-1,3-diethylpyrimidine-2,4(1H,3H)-dione hydrochloride

5,6-diamino-1,3-diethyl-pyrimidine-2,4-dione5,6-diamino-1,3diethyluracilL8UB75J5A8SCHEMBL3399025UYSUETCFMBIADB-UHFFFAOYSA-N5,6-diamino-1,3 -diethyluracilSBB092305AKOS005071792

Database identifiers

CAS: 52998-22-8
PubChem CID: 4572133
DTXSID: DTXSID90404391
UNII: L8UB75J5A8
Nikkaji: J1.235.145C

Properties

Computed structural properties

XLogP: -0.8
Topological polar surface area: 92.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 310

Physicochemical properties

Melting point: 88 · 88-98°C
Boiling point: 278.3 · 278.3±50.0 °C(Predicted)
Density: 1.23 · 1.230±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform
form: Solid
pka: 4.4 · 4.40±0.70(Predicted)
color: Yellow
Sensitive: Hygroscopic
InChI: InChI=1S/C8H14N4O2/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14/h3-4,9-10H2,1-2H3
InChIKey: UYSUETCFMBIADB-UHFFFAOYSA-N
SMILES: C1(=O)N(CC)C(N)=C(N)C(=O)N1CC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P302+P352-P305+P351+P338-P321-P405-P501
HazardClass: IRRITANT