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CAS 330785-84-7

:

4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-5-pyrimidinecarboxylic acid

Description:
The chemical substance known as 4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-5-pyrimidinecarboxylic acid, with the CAS number 330785-84-7, is a complex organic compound characterized by its multi-functional structure. It features a pyrimidinecarboxylic acid core, which is substituted with a pyrrolidine moiety and a chloromethoxyphenyl group. This compound exhibits properties typical of both amines and carboxylic acids, allowing for potential interactions in biological systems. Its structural components suggest it may engage in hydrogen bonding and other intermolecular interactions, which could influence its solubility and reactivity. The presence of a hydroxymethyl group indicates potential for further functionalization or interaction with biological targets. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential biological activity and the presence of various functional groups that can participate in chemical reactions. However, specific biological activity and safety profiles would need to be evaluated through empirical studies.
Formula:C18H21ClN4O4
InChI:InChI=1S/C18H21ClN4O4/c1-27-15-5-4-11(7-14(15)19)8-20-16-13(17(25)26)9-21-18(22-16)23-6-2-3-12(23)10-24/h4-5,7,9,12,24H,2-3,6,8,10H2,1H3,(H,25,26)(H,20,21,22)/t12-/m0/s1
InChI key:InChIKey=KJYHORVTWSYSQP-LBPRGKRZSA-N
SMILES:C(O)[C@H]1N(C=2N=C(NCC3=CC(Cl)=C(OC)C=C3)C(C(O)=O)=CN2)CCC1
Synonyms:
  • 4-[[(3-Chloro-4-Methoxyphenyl)Methyl]Amino]-2-[(2S)-2-(Hydroxymethyl)-1-Pyrrolidinyl]-5-Pyrimidinecarboxylic Acid
  • 5-Pyrimidinecarboxylic acid, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-[(2S)-2-(hydroxymethyl)- 1-pyrrolidinyl]-
  • (S)-4-(3-Chloro-4-methoxybenzylamino)-5-carboxy-2-(2-hydroxymethyl-1-pyrrolidinyl)pyrimidine
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