4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C18H24Cl2N6O — CID 164614828

IUPAC4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H24Cl2N6O/c1-3-4-14(27-15-11-12(19)5-6-13(15)20)16-22-17(21)24-18(23-16)26-9-7-25(2)8-10-26/h5-6,11,14H,3-4,7-10H2,1-2H3,(H2,21,22,23,24)
InChIKeyXILSSYCQBDFLEK-UHFFFAOYSA-N
MW411.34 g/mol
LogP3.43
Rot. Bonds6

About 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 164614828) has the molecular formula C18H24Cl2N6O and a molecular weight of 411.34 g/mol. Its IUPAC name is 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID164614828
Molecular FormulaC18H24Cl2N6O
Molecular Weight411.34 g/mol
Exact Mass410.14
IUPAC Name4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C18H24Cl2N6O/c1-3-4-14(27-15-11-12(19)5-6-13(15)20)16-22-17(21)24-18(23-16)26-9-7-25(2)8-10-26/h5-6,11,14H,3-4,7-10H2,1-2H3,(H2,21,22,23,24)
InChIKeyXILSSYCQBDFLEK-UHFFFAOYSA-N
XLogP3.43
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-[1-(2,5-Dichlorophenoxy)propyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164618100
4-[1-(2-Chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155519102
4-[(2,4-Dichlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155536152
4-[(3-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155538814
4-[1-(3-Chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155543653
4-[(2-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155554036
4-[1-(2,5-Dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164608896
4-[1-(2,3-Dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164610188
4-(4-Methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine
CID 164610456
4-[1-(3,5-Dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164611003
4-[3-(2,3-Dichlorophenoxy)propyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164612518
4-[3-(2,5-Dichlorophenoxy)propyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164613297

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 164614828) is 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is XILSSYCQBDFLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N6O/c1-3-4-14(27-15-11-12(19)5-6-13(15)20)16-22-17(21)24-18(23-16)26-9-7-25(2)8-10-26/h5-6,11,14H,3-4,7-10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 411.34 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 164614828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).