Basic information
- Standard SMILES
COC(=O)c1c(C)nc(CCCNC(=O)OC(C)(C)C)nc1Nc1cccc(C)c1- InChIKey
YMAOJENTXKRLHE-UHFFFAOYSA-N- Molecular formula
- C22H30N4O4
- Average molar mass
- 414.5 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-(tert-butoxycarbonylamino)propyl)-4-methyl-6-(m-tolylamino)pyrimidine-5-carboxylate
- IUPAC
- methyl 4-methyl-6-(3-methylanilino)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrimidine-5-carboxylate
Names & synonyms
SCHEMBL1988039YMAOJENTXKRLHE-UHFFFAOYSA-NMethyl 2-(3-(tert-butoxycarbonylamino)propyl)-4-methyl-6-(m-tolylamino)pyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 58317633
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 566
Related reactions
4 records
Compound notes
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