5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide

C22H25N3O6 — CID 10224376

IUPAC5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
SMILESCOc1nc(OC)c(NC(=O)c2ccc(Oc3cc(C(C)C)ccc3C)o2)c(OC)n1
InChIInChI=1S/C22H25N3O6/c1-12(2)14-8-7-13(3)16(11-14)31-17-10-9-15(30-17)19(26)23-18-20(27-4)24-22(29-6)25-21(18)28-5/h7-12H,1-6H3,(H,23,26)
InChIKeyBKCFMLZZRZHTJT-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.57
Rot. Bonds8

About 5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide

5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide (PubChem CID 10224376) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is 5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
PubChem CID10224376
Molecular FormulaC22H25N3O6
Molecular Weight427.46 g/mol
Exact Mass427.17
IUPAC Name5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
SMILESCOc1nc(OC)c(NC(=O)c2ccc(Oc3cc(C(C)C)ccc3C)o2)c(OC)n1
InChIInChI=1S/C22H25N3O6/c1-12(2)14-8-7-13(3)16(11-14)31-17-10-9-15(30-17)19(26)23-18-20(27-4)24-22(29-6)25-21(18)28-5/h7-12H,1-6H3,(H,23,26)
InChIKeyBKCFMLZZRZHTJT-UHFFFAOYSA-N
XLogP4.57
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide (CID 10224376) is 5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide is COc1nc(OC)c(NC(=O)c2ccc(Oc3cc(C(C)C)ccc3C)o2)c(OC)n1.
What is the InChIKey of 5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The InChIKey is BKCFMLZZRZHTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-12(2)14-8-7-13(3)16(11-14)31-17-10-9-15(30-17)19(26)23-18-20(27-4)24-22(29-6)25-21(18)28-5/h7-12H,1-6H3,(H,23,26).
What are the key properties of 5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-propan-2-ylphenoxy)-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 10224376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).