Basic information
- Standard SMILES
CSc1nc(-c2ccncc2N)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1- InChIKey
QATXQBNEJWQJDN-UHFFFAOYSA-N- Molecular formula
- C20H27N5O4S
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- 6-(3-aminopyridin-4-yl)-N,N-di-BOC-2-(methylthio)pyrimidin-4-amine
- IUPAC
- tert-butyl N-[6-(3-amino-4-pyridinyl)-2-methylsulfanylpyrimidin-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Names & synonyms
SCHEMBL4438213QATXQBNEJWQJDN-UHFFFAOYSA-N6-(3-aminopyridin-4-yl)-N,N-di-BOC-2-(methyl-thio)pyrimidin-4-amine6-(3-aminopyridin-4-yl)-N,N-di-BOC-2-(methylthio)pyrimidin-4-amine
Database identifiers
- PubChem CID
- 69044381
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 579
Related reactions
2 records
Compound notes
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