6-Chlorouracil

C4H3ClN2O2CAS 4270-27-3146.53 g/mol

Open in Covalent MOL file
OHClNHON
Aryl halidePhenol

Properties

Molecular formula
C4H3ClN2O2
Molar mass
146.53 g/mol
Exact mass
145.9883 Da
Melting point
300 °C
logP
0.54Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4270-27-3
SMILES
Oc1cc(Cl)nc(O)n1
InChIKey
PKUFNWPSFCOSLU-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 2,4(1H,3H)-Pyrimidinedione, 6-chloro-
  • Uracil, 6-chloro-
  • 6-Chloro-2,4(1H,3H)-pyrimidinedione
  • 4-Chloro-2,6-dihydroxypyrimidine
  • 6-Chloro-2,4-pyrimidinediol
  • 6-Chloro-2,4-dihydroxypyrimidine
  • 6-Chloropyrimidine-2,4(1H,3H)-dione
  • NSC 210419
  • NSC 43265
  • 6-Chloropyrimidine-2,4-dione

Work with 6-Chlorouracil

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione18592-13-750 % similar 6-Methyluracil626-48-250 % similar 6-Aminouracil873-83-650 % similar 2,6-Dichloropyridin-4-ol17228-74-946 % similar 6-Chloro-2(1H)-pyridinone16879-02-043 % similar Orotic acid65-86-142 % similar 2,4,6-Trichloropyrimidine3764-01-040 % similar Orotic acid monohydrate50887-69-939 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chlorouracil1820-81-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook