2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

C19H16F5N5O — CID 58039396

IUPAC2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESFc1ccc(CNc2nc(NCc3ccccc3F)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C19H16F5N5O/c20-14-7-5-12(6-8-14)9-25-16-27-17(26-10-13-3-1-2-4-15(13)21)29-18(28-16)30-11-19(22,23)24/h1-8H,9-11H2,(H2,25,26,27,28,29)
InChIKeyDXXZKSRQXFJBDI-UHFFFAOYSA-N
MW425.36 g/mol
LogP4.32
Rot. Bonds8

About 2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 58039396) has the molecular formula C19H16F5N5O and a molecular weight of 425.36 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID58039396
Molecular FormulaC19H16F5N5O
Molecular Weight425.36 g/mol
Exact Mass425.13
IUPAC Name2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESFc1ccc(CNc2nc(NCc3ccccc3F)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C19H16F5N5O/c20-14-7-5-12(6-8-14)9-25-16-27-17(26-10-13-3-1-2-4-15(13)21)29-18(28-16)30-11-19(22,23)24/h1-8H,9-11H2,(H2,25,26,27,28,29)
InChIKeyDXXZKSRQXFJBDI-UHFFFAOYSA-N
XLogP4.32
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-[(4-fluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80777450
N-[[4-[4-[(4-fluorophenyl)methylamino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]-2-methylphenyl]methyl]benzamide
CID 140573641
6-ethoxy-4-N-[(4-fluorophenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 58040288
4-N-[[4-(3-fluorophenyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 58040049
4-N-[(4-iodophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 162601082
2-N-[4-(aminomethyl)phenyl]-4-N-[[3-(aminomethyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 67074644
4-(4-cyclopentyl-2,2-difluorobutoxy)-N-[(4-fluorophenyl)methyl]-6-phenyl-1,3,5-triazin-2-amine
CID 162601087
1-[[4,6-bis[(4-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]-3-(2-fluorophenyl)thiourea
CID 178078613
1-N,2-N-bis[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]benzene-1,2-diamine
CID 2826886
2-[4-[2-[[4-[(2,5-difluorophenyl)methylamino]-6-[[4-(trifluoromethyl)phenyl]methylamino]-1,3,5-triazin-2-yl]oxy]ethoxy]phenoxy]-2-methylpropanoic acid
CID 142682915
4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine
CID 82459730
2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 123835482

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 58039396) is 2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is Fc1ccc(CNc2nc(NCc3ccccc3F)nc(OCC(F)(F)F)n2)cc1.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is DXXZKSRQXFJBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5N5O/c20-14-7-5-12(6-8-14)9-25-16-27-17(26-10-13-3-1-2-4-15(13)21)29-18(28-16)30-11-19(22,23)24/h1-8H,9-11H2,(H2,25,26,27,28,29).
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 425.36 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58039396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).