6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide

C20H13F3N4O4 — CID 24762797

IUPAC6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide
SMILESNc1nccc(Oc2ccc3c(C(=O)Nc4cccc(OC(F)(F)F)c4)coc3c2)n1
InChIInChI=1S/C20H13F3N4O4/c21-20(22,23)31-13-3-1-2-11(8-13)26-18(28)15-10-29-16-9-12(4-5-14(15)16)30-17-6-7-25-19(24)27-17/h1-10H,(H,26,28)(H2,24,25,27)
InChIKeyCJBHJSLTTDOIKH-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.75
Rot. Bonds5

About 6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide

6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 24762797) has the molecular formula C20H13F3N4O4 and a molecular weight of 430.34 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide
PubChem CID24762797
Molecular FormulaC20H13F3N4O4
Molecular Weight430.34 g/mol
Exact Mass430.09
IUPAC Name6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide
SMILESNc1nccc(Oc2ccc3c(C(=O)Nc4cccc(OC(F)(F)F)c4)coc3c2)n1
InChIInChI=1S/C20H13F3N4O4/c21-20(22,23)31-13-3-1-2-11(8-13)26-18(28)15-10-29-16-9-12(4-5-14(15)16)30-17-6-7-25-19(24)27-17/h1-10H,(H,26,28)(H2,24,25,27)
InChIKeyCJBHJSLTTDOIKH-UHFFFAOYSA-N
XLogP4.75
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide
CID 24762799
6-(2-aminopyrimidin-4-yl)oxy-N-[4-methyl-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 67406449
tert-butyl N-[3-(2-aminopyrimidin-4-yl)oxyphenyl]carbamate
CID 133062095
6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 23653451
6-amino-N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239085
6-(2-aminopyrimidin-4-yl)oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-benzothiazole-3-carboxamide
CID 24762705
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 22936793
5-fluoro-2-hydroxy-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 155535033
2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 38258538
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide (CID 24762797) is 6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide is Nc1nccc(Oc2ccc3c(C(=O)Nc4cccc(OC(F)(F)F)c4)coc3c2)n1.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is CJBHJSLTTDOIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O4/c21-20(22,23)31-13-3-1-2-11(8-13)26-18(28)15-10-29-16-9-12(4-5-14(15)16)30-17-6-7-25-19(24)27-17/h1-10H,(H,26,28)(H2,24,25,27).
What are the key properties of 6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide?
6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 430.34 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 24762797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).