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

C18H24F3N7 — CID 18124256

IUPAC2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F3N7/c1-12(15-23-16(22)25-17(24-15)26(2)3)27-7-9-28(10-8-27)14-6-4-5-13(11-14)18(19,20)21/h4-6,11-12H,7-10H2,1-3H3,(H2,22,23,24,25)
InChIKeyQBWKBBSSAWEFAE-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.42
Rot. Bonds4

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

2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 18124256) has the molecular formula C18H24F3N7 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID18124256
Molecular FormulaC18H24F3N7
Molecular Weight395.43 g/mol
Exact Mass395.20
IUPAC Name2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H24F3N7/c1-12(15-23-16(22)25-17(24-15)26(2)3)27-7-9-28(10-8-27)14-6-4-5-13(11-14)18(19,20)21/h4-6,11-12H,7-10H2,1-3H3,(H2,22,23,24,25)
InChIKeyQBWKBBSSAWEFAE-UHFFFAOYSA-N
XLogP2.42
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-2-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 16582764
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 1431296
4-[[2-[5-[[[4-amino-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazin-2-yl]-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]morpholin-4-yl]methyl]-1-methylpyridin-2-one
CID 142506315
6-[(1S)-1-(4-ethylpiperazin-1-yl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34600416
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
2-N,2-N-dimethyl-6-[1-(4-methylpiperidin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 51281458
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 173434640
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720
(2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 25384906
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile
CID 60811985

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (CID 18124256) is 2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is CC(c1nc(N)nc(N(C)C)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QBWKBBSSAWEFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N7/c1-12(15-23-16(22)25-17(24-15)26(2)3)27-7-9-28(10-8-27)14-6-4-5-13(11-14)18(19,20)21/h4-6,11-12H,7-10H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 395.43 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18124256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).