chempirical

4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-D]pyrimidin-6-one

C6H4ClN3OCAS 346599-63-1169.57 g/mol

Open in Covalent MOL file
OHNNNCl
Aryl halide

Properties

Molecular formula
C6H4ClN3O
Molar mass
169.57 g/mol
Exact mass
169.0043 Da
logP
1.27Crippen estimate
Polar surface area
58.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
346599-63-1
SMILES
OC1=Nc2ncnc(Cl)c2C1
InChIKey
PKKYYNMRPXEIFE-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClN3O/c7-5-3-1-4(11)10-6(3)9-2-8-5/h2H,1H2,(H,8,9,10,11)

Weigh it out

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

Names and synonyms

4 names
  • 6H-Pyrrolo[2,3-d]pyrimidin-6-one, 4-chloro-5,7-dihydro-
  • 6H-Pyrrolo[2,3-d]pyrimidin-6-one, 4-chloro-1,5-dihydro-
  • 4-Chloro-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
  • 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

Work with 4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-D]pyrimidin-6-one

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

1,3-Dihydro-2H-pyrrolo[2,3-B]pyridin-2-one5654-97-739 % similar (4,6-Dichloropyrimidin-5-yl)acetaldehyde16019-33-338 % similar 4,5,6-Trichloropyrimidine1780-27-434 % similar Guanfacine hydrochloride29110-48-334 % similar 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one139122-19-333 % similar 2H-Pyrido[3,2-B]-1,4-oxazin-3(4H)-one20348-09-833 % similar 1,3-Dihydro-2H-pyrrolo[3,2-B]pyridin-2-one32501-05-633 % similar 4,6-Dichloro-5-iodopyrimidine1137576-38-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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