Basic information
- Standard SMILES
CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CCN(C)C- InChIKey
RNGPSUUCDVRBHQ-UHFFFAOYSA-N- Molecular formula
- C28H44N6O3
- Average molar mass
- 512.7 g/mol
- Monoisotopic mass
- 512.34748929
Names & identifiers
- Preferred name
- Methyl 2-(3-((N-(3-(2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)propyl)-3-(dimethylamino)propanamido)methyl)phenyl)acetate
- IUPAC
- methyl 2-[3-[[3-[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]propyl-[3-(dimethylamino)propanoyl]amino]methyl]phenyl]acetate
Names & synonyms
SCHEMBL2844649CHEMBL5280616RNGPSUUCDVRBHQ-UHFFFAOYSA-NMethyl 2-(3-((N-(3-(2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl)propyl)-3-(dimethylamino)propanamido)methyl)phenyl)acetate
Database identifiers
- PubChem CID
- 42612992
- ChEMBL
CHEMBL5280616
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 664
Related reactions
3 records
Compound notes
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