2-Pyrimidinamine, 4-ethoxy-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-6-methyl-
Basic information
- CAS
77077-53-3- Standard SMILES
CCCCCCc1nc(Nc2nc(C)cc(OCC)n2)n[nH]1- InChIKey
DWRKDKOSLJZIHP-UHFFFAOYSA-N- Molecular formula
- C15H24N6O
- Average molar mass
- 304.39 g/mol
- Monoisotopic mass
- 304.20115941
Names & identifiers
- Preferred name
- 2-Pyrimidinamine, 4-ethoxy-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-6-methyl-
- IUPAC
- 4-ethoxy-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-6-methylpyrimidin-2-amine
Names & synonyms
N-(4-ethoxy-6-methyl-2-pyrimidinyl)-N-(5-hexyl-1H-1,2,4-triazol-3-yl)amine2-Pyrimidinamine, 4-ethoxy-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-6-methyl-77077-53-3DTXSID504039614-ethoxy-N-(5-hexyl-1H-1,2,4-triazol-3-yl)-6-methylpyrimidin-2-amineAE-641/32255006AH-034/11963061
Database identifiers
- CAS
77077-53-3- PubChem CID
- 4527481
- DTXSID
DTXSID50403961
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 306
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Compound notes
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