chempirical

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

C12H14ClN3O2CAS 1146629-75-5267.71 g/mol

Open in Covalent MOL file
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

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

Weigh it out

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

Names and synonyms

2 names
  • 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 Adefovir dipivoxil142340-99-636 % similar [[[[2-(6-Amino-9H-purin-9-yl)ethoxy]methyl]hydroxyphosphinyl]oxy]methyl 2,2-dimethylpropanoate142341-05-735 % similar Chloromethyl pivalate18997-19-834 % similar Ethyl pivalate3938-95-232 % similar Iodomethyl 2,2-dimethylpropanoate53064-79-231 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook