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

C16H21FN6 — CID 70906740

IUPACN-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCC(Nc1ncnc(N2CCN(C)CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN6/c1-12(13-3-5-14(17)6-4-13)20-15-18-11-19-16(21-15)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,20,21)
InChIKeyWJCMLUMVNUUPHW-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.94
Rot. Bonds4

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

N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 70906740) has the molecular formula C16H21FN6 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID70906740
Molecular FormulaC16H21FN6
Molecular Weight316.38 g/mol
Exact Mass316.18
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCC(Nc1ncnc(N2CCN(C)CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN6/c1-12(13-3-5-14(17)6-4-13)20-15-18-11-19-16(21-15)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,20,21)
InChIKeyWJCMLUMVNUUPHW-UHFFFAOYSA-N
XLogP1.94
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 70906740) is N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CC(Nc1ncnc(N2CCN(C)CC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is WJCMLUMVNUUPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6/c1-12(13-3-5-14(17)6-4-13)20-15-18-11-19-16(21-15)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 316.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 70906740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).