chempirical

Phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

C13H13N3O4CAS 89392-03-0275.26 g/mol

Open in Covalent MOL file
OONNHOON
Ether

Properties

Molecular formula
C13H13N3O4
Molar mass
275.26 g/mol
Exact mass
275.0906 Da
logP
2.12Crippen estimate
Polar surface area
86.1 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Identifiers

CAS number
89392-03-0
SMILES
COc1cc(OC)nc(N=C(O)Oc2ccccc2)n1
InChIKey
MESPVSMSORHLAX-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)

Weigh it out

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

Names and synonyms

7 names
  • Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester
  • Carbamic acid, (4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester
  • Phenyl (4,6-dimethoxy-2-pyrimidinyl)carbamate
  • 4,6-Dimethoxy-2-(phenoxycarbonylamino)pyrimidine
  • 2-Phenoxycarbonylamino-4,6-dimethoxypyrimidine
  • N-(4,6-Dimethoxypyrimidin-2-yl)carbamic acid phenyl ester
  • (4,6-Dimethoxy-pyrimidin-2-yl)-carbamic acid phenyl ester

Work with Phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

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

Ethoxysulfuron126801-58-942 % similar Desmedipham13684-56-541 % similar 2,4,6-Trimethoxypyrimidine13106-85-941 % similar Phenmedipham13684-63-440 % similar 2-Chloro-4,6-dimethoxypyrimidine13223-25-139 % similar Metolcarb1129-41-539 % similar Bensulfuron-methyl83055-99-638 % similar Bispyribac125401-75-437 % similar

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

Same formula

Metronidazole benzoate13182-89-3

Elsewhere

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