Basic information
- Standard SMILES
C#CC(C)Oc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC- InChIKey
FYUBPKFLCHEZAF-UHFFFAOYSA-N- Molecular formula
- C17H20N4O3
- Average molar mass
- 328.4 g/mol
Names & identifiers
- Preferred name
- 2,4-Diamino-5-[3,4-dimethoxy-5-(1-methyl-2-propynyloxy)benzyl]pyrimidine
- IUPAC
- 5-[(3-but-3-yn-2-yloxy-4,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL10617635FYUBPKFLCHEZAF-UHFFFAOYSA-N2,4-diamino-5-[3,4-dimethoxy-5-(1-methyl-2-propynyloxy)-benzyl]pyrimidine2,4-Diamino-5-[3,4-dimethoxy-5-(1-methyl-2-propynyloxy)benzyl]pyrimidine
Database identifiers
- PubChem CID
- 12849802
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 441
Related reactions
4 records
Compound notes
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