Basic information
- CAS
90904-72-6- Standard SMILES
Cc1nc(N)nc(N)c1N1CCN(c2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)CC1- InChIKey
IHIPQJBHPYCUTD-UHFFFAOYSA-N- Molecular formula
- C21H27N7O5
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.20736699
Names & identifiers
- Preferred name
- N-(4-(4-(2,4-Diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl)benzoyl)glutamic acid
- IUPAC
- 2-[[4-[4-(2,4-diamino-6-methylpyrimidin-5-yl)piperazin-1-yl]benzoyl]amino]pentanedioic acid
Names & synonyms
NSC69151490904-72-6DTXSID70320040NSC354264NSC-354264NSC-691514N-(4-(4-(2,4-Diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl)benzoyl)glutamic acidL-Glutamic acid,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl]benzoyl]-N-{4-[4-(2,4-Diamino-6-methylpyrimidin-5-yl)piperazin-1-yl]benzoyl}glutamic acid2-[[4-[4-(2,4-diamino-6-methyl-pyrimidin-5-yl)piperazin-1-yl]benzoyl]amino]pentanedioic acid
Database identifiers
- CAS
90904-72-6- PubChem CID
- 337178
- DTXSID
DTXSID70320040
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 188 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 694
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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