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

C19H20F3N5O2 — CID 123835482

IUPAC2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(CNc2nc(NCCc3ccccc3)nc(OCC(F)(F)F)n2)o1
InChIInChI=1S/C19H20F3N5O2/c1-13-7-8-15(29-13)11-24-17-25-16(23-10-9-14-5-3-2-4-6-14)26-18(27-17)28-12-19(20,21)22/h2-8H,9-12H2,1H3,(H2,23,24,25,26,27)
InChIKeyUWVLISUFCPFJQK-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.98
Rot. Bonds9

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

2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 123835482) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID123835482
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC Name2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(CNc2nc(NCCc3ccccc3)nc(OCC(F)(F)F)n2)o1
InChIInChI=1S/C19H20F3N5O2/c1-13-7-8-15(29-13)11-24-17-25-16(23-10-9-14-5-3-2-4-6-14)26-18(27-17)28-12-19(20,21)22/h2-8H,9-12H2,1H3,(H2,23,24,25,26,27)
InChIKeyUWVLISUFCPFJQK-UHFFFAOYSA-N
XLogP3.98
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 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) is 2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is Cc1ccc(CNc2nc(NCCc3ccccc3)nc(OCC(F)(F)F)n2)o1.
What is the InChIKey of 2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is UWVLISUFCPFJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-13-7-8-15(29-13)11-24-17-25-16(23-10-9-14-5-3-2-4-6-14)26-18(27-17)28-12-19(20,21)22/h2-8H,9-12H2,1H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 407.40 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 123835482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).