6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide

C22H20N4O3 — CID 24762799

IUPAC6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2coc3cc(Oc4ccnc(N)n4)ccc23)c1
InChIInChI=1S/C22H20N4O3/c1-13(2)14-4-3-5-15(10-14)25-21(27)18-12-28-19-11-16(6-7-17(18)19)29-20-8-9-24-22(23)26-20/h3-13H,1-2H3,(H,25,27)(H2,23,24,26)
InChIKeyODGAFVZLSLBNFB-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.97
Rot. Bonds5

About 6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide

6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide (PubChem CID 24762799) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide
PubChem CID24762799
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2coc3cc(Oc4ccnc(N)n4)ccc23)c1
InChIInChI=1S/C22H20N4O3/c1-13(2)14-4-3-5-15(10-14)25-21(27)18-12-28-19-11-16(6-7-17(18)19)29-20-8-9-24-22(23)26-20/h3-13H,1-2H3,(H,25,27)(H2,23,24,26)
InChIKeyODGAFVZLSLBNFB-UHFFFAOYSA-N
XLogP4.97
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 24762797
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
2-amino-4-methoxy-N-(3-propan-2-ylphenyl)benzamide
CID 115412483
1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 22936793
4-(4-aminophenoxy)pyrimidin-2-amine;1-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea
CID 160708117
3-fluoro-2-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105388132
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
CID 68841427
6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 59224752
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105071923
6-[2-(methoxymethyl)pyrimidin-4-yl]oxy-N-(3-phenoxyphenyl)naphthalene-1-carboxamide
CID 23652869
N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-benzofuran-3-carboxamide
CID 86946761

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide (CID 24762799) is 6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide is CC(C)c1cccc(NC(=O)c2coc3cc(Oc4ccnc(N)n4)ccc23)c1.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide?
The InChIKey is ODGAFVZLSLBNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13(2)14-4-3-5-15(10-14)25-21(27)18-12-28-19-11-16(6-7-17(18)19)29-20-8-9-24-22(23)26-20/h3-13H,1-2H3,(H,25,27)(H2,23,24,26).
What are the key properties of 6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide?
6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-4-yl)oxy-N-(3-propan-2-ylphenyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 24762799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).