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

C16H20Cl2N6O — CID 164615340

IUPAC4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCC(Oc1ccc(Cl)c(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H20Cl2N6O/c1-10(25-11-3-4-12(17)13(18)9-11)14-20-15(19)22-16(21-14)24-7-5-23(2)6-8-24/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
InChIKeyPZIGYQHVJAFLAI-UHFFFAOYSA-N
MW383.28 g/mol
LogP2.65
Rot. Bonds4

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

4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 164615340) has the molecular formula C16H20Cl2N6O and a molecular weight of 383.28 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID164615340
Molecular FormulaC16H20Cl2N6O
Molecular Weight383.28 g/mol
Exact Mass382.11
IUPAC Name4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCC(Oc1ccc(Cl)c(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H20Cl2N6O/c1-10(25-11-3-4-12(17)13(18)9-11)14-20-15(19)22-16(21-14)24-7-5-23(2)6-8-24/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
InChIKeyPZIGYQHVJAFLAI-UHFFFAOYSA-N
XLogP2.65
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(4-Methylpiperazin-1-yl)-6-(phenoxymethyl)-1,3,5-triazin-2-amine
CID 155531846
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-[(4-Chloro-3-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155544139
4-[(2-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155554036
4-[(4-Chloro-2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155558408
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 164615340) is 4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CC(Oc1ccc(Cl)c(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is PZIGYQHVJAFLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N6O/c1-10(25-11-3-4-12(17)13(18)9-11)14-20-15(19)22-16(21-14)24-7-5-23(2)6-8-24/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 383.28 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 164615340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).