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

C14H16F2N6 — CID 90645161

IUPAC4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3cc(F)cc(F)c3)n2)CC1
InChIInChI=1S/C14H16F2N6/c1-21-2-4-22(5-3-21)14-19-12(18-13(17)20-14)9-6-10(15)8-11(16)7-9/h6-8H,2-5H2,1H3,(H2,17,18,19,20)
InChIKeyJLPUHTOOYSWPFA-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.15
Rot. Bonds2

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

4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 90645161) has the molecular formula C14H16F2N6 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID90645161
Molecular FormulaC14H16F2N6
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Name4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3cc(F)cc(F)c3)n2)CC1
InChIInChI=1S/C14H16F2N6/c1-21-2-4-22(5-3-21)14-19-12(18-13(17)20-14)9-6-10(15)8-11(16)7-9/h6-8H,2-5H2,1H3,(H2,17,18,19,20)
InChIKeyJLPUHTOOYSWPFA-UHFFFAOYSA-N
XLogP1.15
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 90645161) is 4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(-c3cc(F)cc(F)c3)n2)CC1.
What is the InChIKey of 4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is JLPUHTOOYSWPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N6/c1-21-2-4-22(5-3-21)14-19-12(18-13(17)20-14)9-6-10(15)8-11(16)7-9/h6-8H,2-5H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 306.32 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).