Basic information
- Standard SMILES
N#Cc1c(NCc2ccc3c(c2)OCO3)nc(N)nc1-c1ccco1- InChIKey
ADWVQEURVRQVCR-UHFFFAOYSA-N- Molecular formula
- C17H13N5O3
- Average molar mass
- 335.32 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-[(benzo [1,3]dioxol-5-ylmethyl)-amino]-6-furan-2-yl-pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4-(1,3-benzodioxol-5-ylmethylamino)-6-(furan-2-yl)pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL5036771ADWVQEURVRQVCR-UHFFFAOYSA-N2-Amino-4-[(benzo [1,3]dioxol-5-ylmethyl)-amino]-6-furan-2-yl-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 9902256
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 512
Related reactions
2 records
Compound notes
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