Basic information
- Standard SMILES
CCOC(=O)CC[C@H](NC(=O)c1ccc(N2CCN(c3c(C)nc(N)nc3N)CC2)cc1)C(=O)OCC- InChIKey
WVSLQHBCGPJMOC-IBGZPJMESA-N- Molecular formula
- C25H35N7O5
- Average molar mass
- 513.6 g/mol
Names & identifiers
- Preferred name
- N-[4-[4-(2,4-Diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl]benzoyl]-L-glutamic acid diethyl ester
- IUPAC
- diethyl (2S)-2-[[4-[4-(2,4-diamino-6-methylpyrimidin-5-yl)piperazin-1-yl]benzoyl]amino]pentanedioate
Names & synonyms
SCHEMBL6705312WVSLQHBCGPJMOC-IBGZPJMESA-NN-[4-[4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl]-benzoyl]-L-glutamic acid diethyl esterN-[4-[4-(2,4-Diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl]benzoyl]-L-glutamic acid diethyl ester
Database identifiers
- PubChem CID
- 13478337
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 756
Related reactions
2 records
Compound notes
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