3-[(4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbonyl)-amino]-propionic acid ethyl ester

HCID 59244232

Basic information

Standard SMILES
CCOC(=O)CCNC(=O)N1CCc2c(-c3cnc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)nc3)nc(N3CCOCC3)nc21
InChIKey
CGHNTKWKFLUQKG-UHFFFAOYSA-N
Molecular formula
C36H42N8O6
Average molar mass
682.8 g/mol

Names & identifiers

Preferred name
3-[(4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbonyl)-amino]-propionic acid ethyl ester
IUPAC
ethyl 3-[[4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carbonyl]amino]propanoate

Names & synonyms

SCHEMBL2379086CGHNTKWKFLUQKG-UHFFFAOYSA-N3-[(4-{2-[bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carbonyl)-amino]-propionic acid ethyl ester

Database identifiers

PubChem CID
59244232

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
144 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
12
Rotatable bonds
14
Heavy atoms
50

Related reactions

4 records

Compound notes

Loading…