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

C16H12ClF3N4O — CID 58039942

IUPAC4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccc(Cc2nc(Cl)nc(NCc3ccco3)n2)c1
InChIInChI=1S/C16H12ClF3N4O/c17-14-22-13(8-10-3-1-4-11(7-10)16(18,19)20)23-15(24-14)21-9-12-5-2-6-25-12/h1-7H,8-9H2,(H,21,22,23,24)
InChIKeyQZXWBNQVYCMUOA-UHFFFAOYSA-N
MW368.75 g/mol
LogP4.34
Rot. Bonds5

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

4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 58039942) has the molecular formula C16H12ClF3N4O and a molecular weight of 368.75 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID58039942
Molecular FormulaC16H12ClF3N4O
Molecular Weight368.75 g/mol
Exact Mass368.07
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)c1cccc(Cc2nc(Cl)nc(NCc3ccco3)n2)c1
InChIInChI=1S/C16H12ClF3N4O/c17-14-22-13(8-10-3-1-4-11(7-10)16(18,19)20)23-15(24-14)21-9-12-5-2-6-25-12/h1-7H,8-9H2,(H,21,22,23,24)
InChIKeyQZXWBNQVYCMUOA-UHFFFAOYSA-N
XLogP4.34
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.75
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039788
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
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460854
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
2-chloro-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine
CID 58039427
4,6-dichloro-5-iodo-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 66316212
3-N-(furan-2-ylmethyl)-5-N-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112947460
[2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]hydrazine
CID 14685626
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
N-(furan-2-ylmethyl)-2-methyl-5-(trifluoromethyl)aniline
CID 66478739
N-[3-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 83960475

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 58039942) is 4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is FC(F)(F)c1cccc(Cc2nc(Cl)nc(NCc3ccco3)n2)c1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is QZXWBNQVYCMUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O/c17-14-22-13(8-10-3-1-4-11(7-10)16(18,19)20)23-15(24-14)21-9-12-5-2-6-25-12/h1-7H,8-9H2,(H,21,22,23,24).
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 368.75 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).