Basic information
- Standard SMILES
COc1cc(C#Cc2cnc(N)nc2N)cc(OC)c1OC- InChIKey
HWMMHIATTCGLSZ-UHFFFAOYSA-N- Molecular formula
- C15H16N4O3
- Average molar mass
- 300.31 g/mol
Names & identifiers
- Preferred name
- 2,4-Diamino-5-(2-(3,4,5-trimethoxyphenyl)ethynyl)pyrimidine
- IUPAC
- 5-[2-(3,4,5-trimethoxyphenyl)ethynyl]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL3948592BDBM18485HWMMHIATTCGLSZ-UHFFFAOYSA-NTMP derivative containing acetylenic linker, 72,4-diamino-5-(2-(3,4,5-trimethoxyphenyl)ethynyl)pyrimidine5-[2-(3,4,5-trimethoxyphenyl)ethynyl]pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 16110320
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 408
Related reactions
3 records
Compound notes
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