2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine

C13H13Cl2N5 — CID 62859583

IUPAC2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
SMILESClc1nc(Cl)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C13H13Cl2N5/c14-11-16-12(15)18-13(17-11)20-8-6-19(7-9-20)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeySKTMNDDADNKIOK-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.51
Rot. Bonds2

About 2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine

2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine (PubChem CID 62859583) has the molecular formula C13H13Cl2N5 and a molecular weight of 310.19 g/mol. Its IUPAC name is 2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
PubChem CID62859583
Molecular FormulaC13H13Cl2N5
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
SMILESClc1nc(Cl)nc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C13H13Cl2N5/c14-11-16-12(15)18-13(17-11)20-8-6-19(7-9-20)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKeySKTMNDDADNKIOK-UHFFFAOYSA-N
XLogP2.51
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
4-[4-(4-benzylpiperazin-1-yl)-6-chloro-1,3,5-triazin-2-yl]morpholine
CID 10619455
2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995741
2-chloro-4-phenyl-6-piperazin-4-ium-1-yl-1,3,5-triazine chloride
CID 110178350
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine
CID 11561156
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
1-fluoro-4-phenylpiperazine
CID 23450926
4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735915
2,4-dichloro-6-(4-cyclopropylpiperazin-1-yl)-1,3,5-triazine
CID 62869573
2,4-dichloro-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazine
CID 62868716
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine (CID 62859583) is 2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine is Clc1nc(Cl)nc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine?
The InChIKey is SKTMNDDADNKIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5/c14-11-16-12(15)18-13(17-11)20-8-6-19(7-9-20)10-4-2-1-3-5-10/h1-5H,6-9H2.
What are the key properties of 2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine?
2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine has a molecular weight of 310.19 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62859583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).