(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate

C12H14ClN3O2CAS 1146629-75-5267.71 g/mol

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OONClNN
Aryl halideEster

Properties

Molecular formula
C12H14ClN3O2
Molar mass
267.71 g/mol
Exact mass
267.0775 Da
logP
2.63Crippen estimate
Polar surface area
57.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1146629-75-5
SMILES
CC(C)(C)C(=O)OCn1ccc2c(Cl)ncnc21
InChIKey
DTPDTZKIIYSQPO-UHFFFAOYSA-N
InChI
InChI=1S/C12H14ClN3O2/c1-12(2,3)11(17)18-7-16-5-4-8-9(13)14-6-15-10(8)16/h4-6H,7H2,1-3H3

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Names and synonyms

3 names
  • Propanoic acid, 2,2-dimethyl-, (4-chloro-7H-pyrrolo(2,3-d)pyrimidin-7-yl)methyl ester
  • Propanoic acid, 2,2-dimethyl-, (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl ester
  • (4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate

Work with (4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl 2,2-dimethylpropanoate

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

(4-(1H-Pyrazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)methyl pivalate1146629-77-761 % similar 4-Chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo(2,3-d)pyrimidine941685-26-352 % similar 4-Chloro-7-methyl-7H-pyrrolo[2,3-D]pyrimidine7781-10-444 % similar 4-Chloro-7-(p-toluenesulfonyl)-7H-pyrrolo[2,3-d]pyrimidine479633-63-137 % similar Adefovir dipivoxil142340-99-636 % similar [[[[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]hydroxyphosphinyl]oxy]methyl 2,2-dimethylpropanoate142341-05-735 % similar Chloromethyl pivalate18797-19-834 % similar Chloromethyl pivalate18997-19-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

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