6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine

C24H24FN7 — CID 17168340

IUPAC6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C24H24FN7/c25-19-9-3-4-11-21(19)32-14-12-31(13-15-32)16-22-28-23(26)30-24(29-22)27-20-10-5-7-17-6-1-2-8-18(17)20/h1-11H,12-16H2,(H3,26,27,28,29,30)
InChIKeyXJZDKGZTSXGLMG-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.81
Rot. Bonds5

About 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine

6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 17168340) has the molecular formula C24H24FN7 and a molecular weight of 429.50 g/mol. Its IUPAC name is 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID17168340
Molecular FormulaC24H24FN7
Molecular Weight429.50 g/mol
Exact Mass429.21
IUPAC Name6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C24H24FN7/c25-19-9-3-4-11-21(19)32-14-12-31(13-15-32)16-22-28-23(26)30-24(29-22)27-20-10-5-7-17-6-1-2-8-18(17)20/h1-11H,12-16H2,(H3,26,27,28,29,30)
InChIKeyXJZDKGZTSXGLMG-UHFFFAOYSA-N
XLogP3.81
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine (CID 17168340) is 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2cccc3ccccc23)n1.
What is the InChIKey of 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is XJZDKGZTSXGLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7/c25-19-9-3-4-11-21(19)32-14-12-31(13-15-32)16-22-28-23(26)30-24(29-22)27-20-10-5-7-17-6-1-2-8-18(17)20/h1-11H,12-16H2,(H3,26,27,28,29,30).
What are the key properties of 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine?
6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 429.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-N-naphthalen-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17168340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).