N4,N4-dimethyl-N2-[1-(2-phenylethyl)-4-piperidinyl]-2,4-pyrimidinediamine

HCID 53921131

Basic information

Standard SMILES
CN(C)c1ccnc(NC2CCN(CCc3ccccc3)CC2)n1
InChIKey
IKNYXRMBLFIVNF-UHFFFAOYSA-N
Molecular formula
C19H27N5
Average molar mass
325.5 g/mol
Monoisotopic mass
325.22664588

Names & identifiers

Preferred name
N4,N4-dimethyl-N2-[1-(2-phenylethyl)-4-piperidinyl]-2,4-pyrimidinediamine
IUPAC
4-N,4-N-dimethyl-2-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidine-2,4-diamine

Names & synonyms

IKNYXRMBLFIVNF-UHFFFAOYSA-NN4,N4-dimethyl-N2-[1-(2-phenylethyl)-4-piperidinyl]-2,4-pyrimidinediamineN4,N4 -dimethyl-N2 -[1-(2-phenylethyl)-4-piperidinyl]-2,4-pyrimidinediamine

Database identifiers

PubChem CID
53921131

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
44.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
24

Related reactions

3 records

Linked notes

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