6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine

C27H36F2N8 — CID 56647699

IUPAC6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCN1CCN(c2nc(NCCc3ccc(F)cc3)nc(NCCc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C27H36F2N8/c1-35(2)15-16-36-17-19-37(20-18-36)27-33-25(30-13-11-21-3-7-23(28)8-4-21)32-26(34-27)31-14-12-22-5-9-24(29)10-6-22/h3-10H,11-20H2,1-2H3,(H2,30,31,32,33,34)
InChIKeyBMAVRMFAHFSTPE-UHFFFAOYSA-N
MW510.64 g/mol
LogP3.14
Rot. Bonds12

About 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine

6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 56647699) has the molecular formula C27H36F2N8 and a molecular weight of 510.64 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID56647699
Molecular FormulaC27H36F2N8
Molecular Weight510.64 g/mol
Exact Mass510.30
IUPAC Name6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)CCN1CCN(c2nc(NCCc3ccc(F)cc3)nc(NCCc3ccc(F)cc3)n2)CC1
InChIInChI=1S/C27H36F2N8/c1-35(2)15-16-36-17-19-37(20-18-36)27-33-25(30-13-11-21-3-7-23(28)8-4-21)32-26(34-27)31-14-12-22-5-9-24(29)10-6-22/h3-10H,11-20H2,1-2H3,(H2,30,31,32,33,34)
InChIKeyBMAVRMFAHFSTPE-UHFFFAOYSA-N
XLogP3.14
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

Almitrine
CID 33887
S 9788
CID 107903
2-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-N-[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 44393045
2-N-[1-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 44393075
n2,n4-Bis(4-fluorophenethyl)-n6-(3-(dimethylamino)propyl)-1,3,5-triazine-2,4,6-triamine
CID 56643402
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56646927
6-N-[5-(dimethylamino)pentyl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647584
2-[4-[[4,6-Bis[2-(4-fluorophenyl)ethylamino]-1,3,5-triazin-2-yl]amino]butyl]guanidine
CID 56647650
6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 56647765
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 56647766
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(2-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647770
4-[(3-Fluorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137637698

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 56647699) is 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine is CN(C)CCN1CCN(c2nc(NCCc3ccc(F)cc3)nc(NCCc3ccc(F)cc3)n2)CC1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BMAVRMFAHFSTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F2N8/c1-35(2)15-16-36-17-19-37(20-18-36)27-33-25(30-13-11-21-3-7-23(28)8-4-21)32-26(34-27)31-14-12-22-5-9-24(29)10-6-22/h3-10H,11-20H2,1-2H3,(H2,30,31,32,33,34).
What are the key properties of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 510.64 g/mol, XLogP of 3.14, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56647699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).