5-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-4-N-[2-(diethylamino)ethyl]pyrimidine-4,6-diamine
Basic information
- CAS
27398-43-2- Standard SMILES
CCN(CC)CCNc1ncnc(N)c1C(=C(C)C)c1ccc(Cl)cc1- InChIKey
WULRUKKAJJSYDT-UHFFFAOYSA-N- Molecular formula
- C20H28ClN5
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.2033236
Names & identifiers
- Preferred name
- 5-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-4-N-[2-(diethylamino)ethyl]pyrimidine-4,6-diamine
- IUPAC
- 5-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-4-N-[2-(diethylamino)ethyl]pyrimidine-4,6-diamine
Names & synonyms
27398-43-2NSC152213DTXSID10950082NSC-1522135-[1-(4-Chlorophenyl)-2-methylprop-1-en-1-yl]-6-{[2-(diethylamino)ethyl]imino}-1,6-dihydropyrimidin-4-amine
Database identifiers
- CAS
27398-43-2- PubChem CID
- 289864
- DTXSID
DTXSID10950082
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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