Basic information
- Standard SMILES
COc1cc(-c2ccncc2N)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1- InChIKey
NSRRJBOAKHJIJA-UHFFFAOYSA-N- Molecular formula
- C20H27N5O5
- Average molar mass
- 417.5 g/mol
- Monoisotopic mass
- 417.20121898
Names & identifiers
- Preferred name
- 4-(3-aminopyridin-4-yl)-6-methoxy-N,N-di-BOC-pyrimidin-2-amine
- IUPAC
- tert-butyl N-[4-(3-amino-4-pyridinyl)-6-methoxypyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Names & synonyms
SCHEMBL4437664NSRRJBOAKHJIJA-UHFFFAOYSA-N4-(3-aminopyridin-4-yl)-6-methoxy-N,N-di-BOC-pyrimidin-2-amine
Database identifiers
- PubChem CID
- 69044113
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 575
Related reactions
1 records
Compound notes
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