6-[2-(3-Chlorophenyl)ethyl]-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4-diamine
Basic information
- CAS
79988-66-2- Standard SMILES
Nc1nc(N)c2c(n1)NCN(CCc1cccc(Cl)c1)C2- InChIKey
CDKKZPZSADLDIO-UHFFFAOYSA-N- Molecular formula
- C14H17ClN6
- Average molar mass
- 304.78 g/mol
- Monoisotopic mass
- 304.1203223
Names & identifiers
- Preferred name
- 6-[2-(3-Chlorophenyl)ethyl]-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4-diamine
- IUPAC
- 6-[2-(3-chlorophenyl)ethyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-diamine
Names & synonyms
79988-66-2NSC327151DTXSID60318178NSC-3271516-[2-(3-Chlorophenyl)ethyl]-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4-diamine
Database identifiers
- CAS
79988-66-2- PubChem CID
- 331879
- DTXSID
DTXSID60318178
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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