Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN(C)C- InChIKey
HFPDLDLMCGOPQT-UHFFFAOYSA-N- Molecular formula
- C27H42N6O3
- Average molar mass
- 498.7 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-((N-(3-(2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)propyl)-2-(dimethylamino)acetamido)methyl)phenyl)acetate
- IUPAC
- methyl 2-[3-[[3-[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]propyl-[2-(dimethylamino)acetyl]amino]methyl]phenyl]acetate
Names & synonyms
SCHEMBL2846070CHEMBL5271095HFPDLDLMCGOPQT-UHFFFAOYSA-NMethyl 2-(3-((N-(3-(2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)propyl)-2-(dimethylamino)acetamido)methyl)phenyl)acetate
Database identifiers
- PubChem CID
- 42614031
- ChEMBL
CHEMBL5271095
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 649
Related reactions
3 records
Compound notes
Loading…