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

C₁₃H₁₃N₃O₄CAS 89392-03-0275.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₃N₃O₄
Molar mass: 275.26 g/mol
Exact mass: 275.0906 Da
logP: 2.12Crippen estimate
Polar surface area: 86.1 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 4

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-152-00-3), via PubChem.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

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 2-[(4,6-Dimethoxy-2-pyrimidinyl)thio]benzoic acid110284-79-238 % similar Bensulfuron-methyl83055-99-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Metronidazole benzoate13182-89-3

Elsewhere

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