4-[4-[2-(Diethylamino)ethoxy]phenyl]-6-phenyl-2-pyrimidinamine

HCID 433484

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 501661-53-6
Standard SMILES: CCN(CC)CCOc1ccc(-c2cc(-c3ccccc3)nc(N)n2)cc1
InChIKey: JINBCBSHHFEMAY-UHFFFAOYSA-N
Molecular formula: C22H26N4O
Average molar mass: 362.5 g/mol
Monoisotopic mass: 362.21066147

Names & identifiers

Preferred name: 4-[4-[2-(Diethylamino)ethoxy]phenyl]-6-phenyl-2-pyrimidinamine
IUPAC: 4-[4-[2-(diethylamino)ethoxy]phenyl]-6-phenylpyrimidin-2-amine

Names & synonyms

DTXSID1011790274-[4-[2-(Diethylamino)ethoxy]phenyl]-6-phenyl-2-pyrimidinamine501661-53-64-{4-[2-(Diethylamino)ethoxy]phenyl}-6-phenylpyrimidin-2-amine

Database identifiers

CAS: 501661-53-6
PubChem CID: 433484
DTXSID: DTXSID101179027

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 64.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 403

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…