4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C14H16Cl2N6 — CID 90645159

IUPAC4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccc(Cl)c(Cl)c3)n2)CC1
InChIInChI=1S/C14H16Cl2N6/c1-21-4-6-22(7-5-21)14-19-12(18-13(17)20-14)9-2-3-10(15)11(16)8-9/h2-3,8H,4-7H2,1H3,(H2,17,18,19,20)
InChIKeyUCYFDXZLORDFPQ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.18
Rot. Bonds2

About 4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 90645159) has the molecular formula C14H16Cl2N6 and a molecular weight of 339.23 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID90645159
Molecular FormulaC14H16Cl2N6
Molecular Weight339.23 g/mol
Exact Mass338.08
IUPAC Name4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccc(Cl)c(Cl)c3)n2)CC1
InChIInChI=1S/C14H16Cl2N6/c1-21-4-6-22(7-5-21)14-19-12(18-13(17)20-14)9-2-3-10(15)11(16)8-9/h2-3,8H,4-7H2,1H3,(H2,17,18,19,20)
InChIKeyUCYFDXZLORDFPQ-UHFFFAOYSA-N
XLogP2.18
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 90645159) is 4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(-c3ccc(Cl)c(Cl)c3)n2)CC1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is UCYFDXZLORDFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N6/c1-21-4-6-22(7-5-21)14-19-12(18-13(17)20-14)9-2-3-10(15)11(16)8-9/h2-3,8H,4-7H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 339.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).