5-[[4-(3-Phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
Basic information
- CAS
119427-22-4- Standard SMILES
Nc1ncc(Cc2ccc(OCCCc3ccccc3)cc2)c(N)n1- InChIKey
FRAJNIZEYIIIAQ-UHFFFAOYSA-N- Molecular formula
- C20H22N4O
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.17936134
Names & identifiers
- Preferred name
- 5-[[4-(3-Phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
- IUPAC
- 5-[[4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
Names & synonyms
5-[[4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine119427-22-4CHEMBL118668Benzylpyrimidine der5-{[4-(3-PHENYLPROPOXY)PHENYL]METHYL}PYRIMIDINE-2,4-DIAMINEDTXSID40332751BDBM50138704[4-(3-Phenylpropoxy)benzyl]-pyrimidine5-[4-(3-Phenyl-propoxy)-benzyl]-pyrimidine-2,4-diamine
Database identifiers
- CAS
119427-22-4- PubChem CID
- 463131
- DTXSID
DTXSID40332751- ChEMBL
CHEMBL118668
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 367
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…