5-Ethyl-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
Basic information
- CAS
170170-14-6- Standard SMILES
CCc1c[nH]c2nc(N)nc(N)c12- InChIKey
JRNBKJIRZOVGBO-UHFFFAOYSA-N- Molecular formula
- C8H11N5
- Average molar mass
- 177.21 g/mol
- Monoisotopic mass
- 177.10144537
Names & identifiers
- Preferred name
- 5-Ethyl-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamine
- IUPAC
- 5-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
Names & synonyms
170170-14-65-ethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine5-Ethyl-7H-pyrrolo(2,3-d)pyrimidine-2,4-diamineRefChem:303004SCHEMBL25722173DTXSID701242056
Database identifiers
- CAS
170170-14-6- PubChem CID
- 10487531
- DTXSID
DTXSID701242056
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
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Compound notes
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