Basic information
- CAS
906435-33-4- Standard SMILES
N#CNC1=NCCC(=O)N1CCc1c[nH]c2ccccc12- InChIKey
NFLMVSDFAHZXKI-UHFFFAOYSA-N- Molecular formula
- C15H15N5O
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.12766012
Names & identifiers
- Preferred name
- 1-(2-(1H-Indol-3-yl)ethyl)-6-oxo-1,4,5,6-tetrahydro-2-pyrimidinylcyanamide
- IUPAC
- [1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]cyanamide
Names & synonyms
NSC654633906435-33-41-(2-(1H-Indol-3-yl)ethyl)-6-oxo-1,4,5,6-tetrahydro-2-pyrimidinylcyanamideCHEMBL1979062DTXSID50327416[1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]cyanamideNSC-654633NCI60_018904{1-[2-(1H-Indol-3-yl)ethyl]-6-oxo-1,4,5,6-tetrahydropyrimidin-2-yl}cyanamide
Database identifiers
- CAS
906435-33-4- PubChem CID
- 375244
- DTXSID
DTXSID50327416- ChEMBL
CHEMBL1979062
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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