6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine

C30H35F6N13 — CID 171981470

IUPAC6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NCCN2CCN(c3nc(Nc4cccc(C(F)(F)F)c4)nc(N(C)C)n3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C30H35F6N13/c1-46(2)26-41-23(40-24(42-26)38-21-9-5-7-19(17-21)29(31,32)33)37-11-12-48-13-15-49(16-14-48)28-44-25(43-27(45-28)47(3)4)39-22-10-6-8-20(18-22)30(34,35)36/h5-10,17-18H,11-16H2,1-4H3,(H,39,43,44,45)(H2,37,38,40,41,42)
InChIKeyAHIOSIRCDQDAJC-UHFFFAOYSA-N
MW691.69 g/mol
LogP4.95
Rot. Bonds11

About 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine

6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 171981470) has the molecular formula C30H35F6N13 and a molecular weight of 691.69 g/mol. Its IUPAC name is 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID171981470
Molecular FormulaC30H35F6N13
Molecular Weight691.69 g/mol
Exact Mass691.30
IUPAC Name6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NCCN2CCN(c3nc(Nc4cccc(C(F)(F)F)c4)nc(N(C)C)n3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C30H35F6N13/c1-46(2)26-41-23(40-24(42-26)38-21-9-5-7-19(17-21)29(31,32)33)37-11-12-48-13-15-49(16-14-48)28-44-25(43-27(45-28)47(3)4)39-22-10-6-8-20(18-22)30(34,35)36/h5-10,17-18H,11-16H2,1-4H3,(H,39,43,44,45)(H2,37,38,40,41,42)
InChIKeyAHIOSIRCDQDAJC-UHFFFAOYSA-N
XLogP4.95
TPSA126.39 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.69
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-N-[2-[4-[4-(4-methoxyanilino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-4-N-(4-methoxyphenyl)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 56696819
4-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040193
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
ethyl 2-[[4-morpholin-4-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]acetate
CID 5244583
1-[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]-3-methylpyrrolidin-3-ol
CID 160975266
4-ethoxy-6-[4-(4-methylphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58039444
6-N-[[4-(dimethylamino)phenyl]methyl]-4-N-[(4-fluorophenyl)methyl]-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 58040283
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040339
4-N,4-N-dimethyl-6-(4-methylpiperazin-1-yl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80767336
3-[[4,6-bis[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]-methylamino]propane-1,2-diol
CID 159928427
1-[4-[3-(trifluoromethyl)anilino]-6-[4-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 155667013
4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80736602

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine (CID 171981470) is 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(NCCN2CCN(c3nc(Nc4cccc(C(F)(F)F)c4)nc(N(C)C)n3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AHIOSIRCDQDAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F6N13/c1-46(2)26-41-23(40-24(42-26)38-21-9-5-7-19(17-21)29(31,32)33)37-11-12-48-13-15-49(16-14-48)28-44-25(43-27(45-28)47(3)4)39-22-10-6-8-20(18-22)30(34,35)36/h5-10,17-18H,11-16H2,1-4H3,(H,39,43,44,45)(H2,37,38,40,41,42).
What are the key properties of 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 691.69 g/mol, XLogP of 4.95, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[4-[4-(dimethylamino)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]-2-N,2-N-dimethyl-4-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 171981470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).