4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine

C19H20F3N5O — CID 58039788

IUPAC4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCN(C)Cc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccco2)n1
InChIInChI=1S/C19H20F3N5O/c1-27(2)12-17-24-16(10-13-5-3-6-14(9-13)19(20,21)22)25-18(26-17)23-11-15-7-4-8-28-15/h3-9H,10-12H2,1-2H3,(H,23,24,25,26)
InChIKeyWEPATUBZLYVYDI-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.75
Rot. Bonds7

About 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine

4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 58039788) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID58039788
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCN(C)Cc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccco2)n1
InChIInChI=1S/C19H20F3N5O/c1-27(2)12-17-24-16(10-13-5-3-6-14(9-13)19(20,21)22)25-18(26-17)23-11-15-7-4-8-28-15/h3-9H,10-12H2,1-2H3,(H,23,24,25,26)
InChIKeyWEPATUBZLYVYDI-UHFFFAOYSA-N
XLogP3.75
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039942
4-(furan-2-ylmethylamino)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2-carbonitrile
CID 58039915
2-chloro-4-propyl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58040421
3-N-(furan-2-ylmethyl)-5-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112947460
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62717333
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 58039906
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 83960475
[1-(furan-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105235150

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 58039788) is 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is CN(C)Cc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccco2)n1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is WEPATUBZLYVYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-27(2)12-17-24-16(10-13-5-3-6-14(9-13)19(20,21)22)25-18(26-17)23-11-15-7-4-8-28-15/h3-9H,10-12H2,1-2H3,(H,23,24,25,26).
What are the key properties of 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 391.40 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).