5-[4-(3-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrimidine-2,4-diamine

HCID 21473673
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Basic information

Standard SMILES
Nc1ncc(CN2CCN(c3cccc(Cl)c3)CC2)c(N)n1
InChIKey
JXVUEGUHQOBEHI-UHFFFAOYSA-N
Molecular formula
C15H19ClN6
Average molar mass
318.8 g/mol

Names & identifiers

Preferred name
5-[4-(3-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrimidine-2,4-diamine
IUPAC
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]pyrimidine-2,4-diamine

Names & synonyms

SCHEMBL7808601JXVUEGUHQOBEHI-UHFFFAOYSA-N5-[4-(3-chloro-phenyl)-piperazin-1-ylmethyl]-pyrimidine-2,4-diamine

Database identifiers

PubChem CID
21473673

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
84.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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