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

C16H21ClN6O — CID 155543653

IUPAC4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCC(Oc1cccc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H21ClN6O/c1-11(24-13-5-3-4-12(17)10-13)14-19-15(18)21-16(20-14)23-8-6-22(2)7-9-23/h3-5,10-11H,6-9H2,1-2H3,(H2,18,19,20,21)
InChIKeyPIEDPXPDSBJFCQ-UHFFFAOYSA-N
MW348.84 g/mol
LogP2.00
Rot. Bonds4

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

4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 155543653) has the molecular formula C16H21ClN6O and a molecular weight of 348.84 g/mol. Its IUPAC name is 4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID155543653
Molecular FormulaC16H21ClN6O
Molecular Weight348.84 g/mol
Exact Mass348.15
IUPAC Name4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCC(Oc1cccc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C16H21ClN6O/c1-11(24-13-5-3-4-12(17)10-13)14-19-15(18)21-16(20-14)23-8-6-22(2)7-9-23/h3-5,10-11H,6-9H2,1-2H3,(H2,18,19,20,21)
InChIKeyPIEDPXPDSBJFCQ-UHFFFAOYSA-N
XLogP2.00
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-(3-chlorophenoxy)ethyl]-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-[(4-Fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 729426
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-[(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-[(4-Methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155566439
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 155543653) is 4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CC(Oc1cccc(Cl)c1)c1nc(N)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is PIEDPXPDSBJFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN6O/c1-11(24-13-5-3-4-12(17)10-13)14-19-15(18)21-16(20-14)23-8-6-22(2)7-9-23/h3-5,10-11H,6-9H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 348.84 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 155543653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).