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

C22H25F3N6O3 — CID 58040158

IUPAC4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)nc(OCC(F)(F)F)n2)o1
InChIInChI=1S/C22H25F3N6O3/c1-15-5-6-18(34-15)12-26-19-28-20(30-21(29-19)33-14-22(23,24)25)27-17-4-2-3-16(11-17)13-31-7-9-32-10-8-31/h2-6,11H,7-10,12-14H2,1H3,(H2,26,27,28,29,30)
InChIKeyOHMRHSRCJUJCLR-UHFFFAOYSA-N
MW478.48 g/mol
LogP3.90
Rot. Bonds9

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

4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 58040158) has the molecular formula C22H25F3N6O3 and a molecular weight of 478.48 g/mol. Its IUPAC name is 4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID58040158
Molecular FormulaC22H25F3N6O3
Molecular Weight478.48 g/mol
Exact Mass478.19
IUPAC Name4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)nc(OCC(F)(F)F)n2)o1
InChIInChI=1S/C22H25F3N6O3/c1-15-5-6-18(34-15)12-26-19-28-20(30-21(29-19)33-14-22(23,24)25)27-17-4-2-3-16(11-17)13-31-7-9-32-10-8-31/h2-6,11H,7-10,12-14H2,1H3,(H2,26,27,28,29,30)
InChIKeyOHMRHSRCJUJCLR-UHFFFAOYSA-N
XLogP3.90
TPSA97.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58039352
4-N-[(5-methylfuran-2-yl)methyl]-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 67016049
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
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58039445
4-(4-ethylsulfonylpiperazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58040422
4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58039983
N-[(5-methylfuran-2-yl)methyl]-4-(4-piperidin-1-ylsulfonylpiperazin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58040004
4-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58039731
N-[2-[[2-[3-(morpholin-4-ylmethyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 21081216
4-N-[(4-iodophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 162601082
4-N-(1,3-benzodioxol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 87237386
6-ethoxy-4-N-(furan-2-ylmethyl)-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-1,3,5-triazine-2,4-diamine
CID 67015784

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 58040158) is 4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is Cc1ccc(CNc2nc(Nc3cccc(CN4CCOCC4)c3)nc(OCC(F)(F)F)n2)o1.
What is the InChIKey of 4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is OHMRHSRCJUJCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3/c1-15-5-6-18(34-15)12-26-19-28-20(30-21(29-19)33-14-22(23,24)25)27-17-4-2-3-16(11-17)13-31-7-9-32-10-8-31/h2-6,11H,7-10,12-14H2,1H3,(H2,26,27,28,29,30).
What are the key properties of 4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 478.48 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58040158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).