n4-[6-Chloro-5-(2-methyl-1-phenylprop-1-en-1-yl)pyrimidin-4-yl]-n1,n1-diethylpentane-1,4-diamine
Basic information
- CAS
25844-59-1- Standard SMILES
CCN(CC)CCCC(C)Nc1ncnc(Cl)c1C(=C(C)C)c1ccccc1- InChIKey
OPPIXXYSSVPYDH-UHFFFAOYSA-N- Molecular formula
- C23H33ClN4
- Average molar mass
- 401 g/mol
- Monoisotopic mass
- 400.2393748
Names & identifiers
- Preferred name
- n4-[6-Chloro-5-(2-methyl-1-phenylprop-1-en-1-yl)pyrimidin-4-yl]-n1,n1-diethylpentane-1,4-diamine
- IUPAC
- 4-N-[6-chloro-5-(2-methyl-1-phenylprop-1-enyl)pyrimidin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Names & synonyms
25844-59-1NSC113540n4-[6-chloro-5-(2-methyl-1-phenylprop-1-en-1-yl)pyrimidin-4-yl]-n1,n1-diethylpentane-1,4-diamineDTXSID70297066OPPIXXYSSVPYDH-UHFFFAOYSA-NNSC-1135404-Chloro-5-[.beta.,.beta.-dimethyl-.alpha.-styryl]-6-[4-diethylamino-1-methyl-n-butylamino]pyrimidineN~4~-[6-Chloro-5-(2-methyl-1-phenylprop-1-en-1-yl)pyrimidin-4-yl]-N~1~,N~1~-diethylpentane-1,4-diamine
Database identifiers
- CAS
25844-59-1- PubChem CID
- 270785
- DTXSID
DTXSID70297066
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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