6-[2-(2,6-dichlorophenyl)ethyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-diamine
Basic information
- CAS
79988-69-5- Standard SMILES
Nc1nc(N)c2c(n1)NCN(CCc1c(Cl)cccc1Cl)C2- InChIKey
HJNHNDVFDGYCIR-UHFFFAOYSA-N- Molecular formula
- C14H16Cl2N6
- Average molar mass
- 339.2 g/mol
- Monoisotopic mass
- 338.0813499
Names & identifiers
- Preferred name
- 6-[2-(2,6-dichlorophenyl)ethyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-diamine
- IUPAC
- 6-[2-(2,6-dichlorophenyl)ethyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-diamine
Names & synonyms
79988-69-5NSC3271496-[2-(2,6-dichlorophenyl)ethyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-diamineDTXSID40318176HJNHNDVFDGYCIR-UHFFFAOYSA-NNSC-3271492,4-Diamino-6-[.beta.-[2,6-dichlorophenyl]ethyl]-5,6,7,8-tetrahydropyrimidine6-[2-(2,6-Dichlorophenyl)ethyl]-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4-diamine6-[2-(2,6-Dichlorophenyl)ethyl]-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4-diamine #
Database identifiers
- CAS
79988-69-5- PubChem CID
- 331877
- DTXSID
DTXSID40318176
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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