Basic information
- CAS
332073-85-5- Standard SMILES
CCCCc1ccc(N/C(N)=N\c2nc(C)cc(C)n2)cc1- InChIKey
BWRDWZMTGISINW-UHFFFAOYSA-N- Molecular formula
- C17H23N5
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.19534575
Names & identifiers
- Preferred name
- (4,6-Dimethylpyrimidin-2-yl){[(4-butylphenyl)amino]iminomethyl}amine
- IUPAC
- 1-(4-butylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
Names & synonyms
1-(4-butylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)guanidineSTK038509AKOS001671476ST50106948AB00280631-09AB00280631-10AG-690/12889976(4,6-dimethylpyrimidin-2-yl){[(4-butylphenyl)amino]iminomethyl}amine
Database identifiers
- CAS
332073-85-5- PubChem CID
- 5628811
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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