5-Allyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione | CAS No. 77-02-1

5-Allyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione

Basic Information

CAS Number

77-02-1

Molecular Formula

C10H14N2O3

Molecular Weight

210.23 g/mol

AD

Basic Physical Properties

Melting Point

140-141.5°

Boiling Point

349.75°C (rough estimate)

Density

1.2056 (rough estimate)

Refractive Index

1.5000 (estimate)

CC(C)C1(C(=O)NC(=O)NC1=O)CC=C

InChI

InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)

InChIKey

UORJNBVJVRLXMQ-UHFFFAOYSA-N

LogP

0.5709000000000001

Topological Polar Surface Area

75.27000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

314

Safety Information

View Safety Information

Toxicity

LD50 i.p. in mice: 200 mg/kg (Frey)

Synonyms & References

English

  • Aprobarbitalum [INN-Latin]
  • 5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
  • 5-Isopropyl-5-allylbarbituric acid
  • 5-Allyl-5-isopropylbarbiturate
  • EINECS 200-997-4
  • CS-7223
  • DTXSID8022616
  • Allylisopropylbarbituric acid
  • CHEMBL7863
  • Allypropymalum
  • Alurate (TN)
  • 2,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-
  • APROBARBITAL
  • Aprobarbital [INN:DCF:NF]
  • Barbituric acid, 5-allyl-5-isopropyl-
  • CCRIS 7088
  • APROBARBITAL [VANDF]
  • APROBARBITAL [INN]
  • Allylpropymal
  • 5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
  • NSC-120769
  • Aprozal
  • Allional
  • 77-02-1
  • Isopropylallylbarbituric acid
  • APROBARBITAL [WHO-DD]
  • SCHEMBL22556213
  • HY-U00166
  • 5-Allyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(prop-2-en-1-yl)-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione
  • NSC 120769

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