N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C20H25F4N5O — CID 58039488

IUPACN-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCC(C)N1CCC(Cc2nc(NCc3ccc(F)cc3)nc(OCC(F)(F)F)n2)C1
InChIInChI=1S/C20H25F4N5O/c1-13(2)29-8-7-15(11-29)9-17-26-18(25-10-14-3-5-16(21)6-4-14)28-19(27-17)30-12-20(22,23)24/h3-6,13,15H,7-12H2,1-2H3,(H,25,26,27,28)
InChIKeyNSCDNEYEEJYXGD-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.84
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 58039488) has the molecular formula C20H25F4N5O and a molecular weight of 427.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID58039488
Molecular FormulaC20H25F4N5O
Molecular Weight427.45 g/mol
Exact Mass427.20
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCC(C)N1CCC(Cc2nc(NCc3ccc(F)cc3)nc(OCC(F)(F)F)n2)C1
InChIInChI=1S/C20H25F4N5O/c1-13(2)29-8-7-15(11-29)9-17-26-18(25-10-14-3-5-16(21)6-4-14)28-19(27-17)30-12-20(22,23)24/h3-6,13,15H,7-12H2,1-2H3,(H,25,26,27,28)
InChIKeyNSCDNEYEEJYXGD-UHFFFAOYSA-N
XLogP3.84
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 58039488) is N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CC(C)N1CCC(Cc2nc(NCc3ccc(F)cc3)nc(OCC(F)(F)F)n2)C1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is NSCDNEYEEJYXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F4N5O/c1-13(2)29-8-7-15(11-29)9-17-26-18(25-10-14-3-5-16(21)6-4-14)28-19(27-17)30-12-20(22,23)24/h3-6,13,15H,7-12H2,1-2H3,(H,25,26,27,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 427.45 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).