Basic information
- Standard SMILES
N#Cc1c(SCCc2ccccn2)nc(N)nc1SCCc1ccccn1- InChIKey
WYUUOPMMZUHNSB-UHFFFAOYSA-N- Molecular formula
- C19H18N6S2
- Average molar mass
- 394.5 g/mol
- Monoisotopic mass
- 394.10343695
Names & identifiers
- Preferred name
- 2-Amino-4,6-bis-(2-pyridin-2-yl-ethylsulfanyl)-pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4,6-bis(2-pyridin-2-ylethylsulfanyl)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL6441746WYUUOPMMZUHNSB-UHFFFAOYSA-N2-amino-4,6-bis-(2-pyridin-2-yl-ethylsulfanyl)-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 18507436
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 450
Related reactions
1 records
Compound notes
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