Basic information
- Standard SMILES
NCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1- InChIKey
MINLECAKOASWQA-UHFFFAOYSA-N- Molecular formula
- C24H25N5O
- Average molar mass
- 399.5 g/mol
- Monoisotopic mass
- 399.20591044
Names & identifiers
- Preferred name
- cis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
- IUPAC
- 7-[3-(aminomethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL1989155SCHEMBL1989156SCHEMBL1989748MINLECAKOASWQA-IZAXUBKRSA-NMINLECAKOASWQA-UAPYVXQJSA-Ncis-7-(3-aminomethyl-cyclobutyl) -5-(3-benzyloxy-phenyl)7H-pyrrolo[2,3-d]pyrimidin4-ylaminecis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylaminecis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin4-ylaminecis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)7H-pyrrolo[2,3-d]pyrimidin-4-ylaminetrans-7-(3-aminomethyl-cyclobutyl)-5(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylaminetrans-7-(3-aminomethyl-cyclobutyl)-5-(3-benyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylaminetrans-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
Show more names
trans-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin4-ylamine
Database identifiers
- PubChem CID
- 10157767
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 550
Related reactions
17 records
Compound notes
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