N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide

C14H12N4O3 — CID 91527109

IUPACN-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cncnc3N)oc12
InChIInChI=1S/C14H12N4O3/c1-20-10-4-2-3-8-5-11(21-12(8)10)14(19)18-9-6-16-7-17-13(9)15/h2-7H,1H3,(H,18,19)(H2,15,16,17)
InChIKeyARGITXHWZGRCMI-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.07
Rot. Bonds3

About N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide

N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 91527109) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID91527109
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC NameN-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cncnc3N)oc12
InChIInChI=1S/C14H12N4O3/c1-20-10-4-2-3-8-5-11(21-12(8)10)14(19)18-9-6-16-7-17-13(9)15/h2-7H,1H3,(H,18,19)(H2,15,16,17)
InChIKeyARGITXHWZGRCMI-UHFFFAOYSA-N
XLogP2.07
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 122304022
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122319384
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
7-methoxy-N-(2-propan-2-yloxyphenyl)-1-benzofuran-2-carboxamide
CID 53281729
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869079
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248
7-methoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 92643178
7-methoxy-N-(4-sulfamoylphenyl)-1-benzofuran-2-carboxamide
CID 40888598
3-[(7-methoxy-1-benzofuran-2-carbonyl)amino]benzoic acid
CID 124688750
7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
7-methoxy-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 86963547

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide (CID 91527109) is N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3cncnc3N)oc12.
What is the InChIKey of N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ARGITXHWZGRCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-20-10-4-2-3-8-5-11(21-12(8)10)14(19)18-9-6-16-7-17-13(9)15/h2-7H,1H3,(H,18,19)(H2,15,16,17).
What are the key properties of N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide?
N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91527109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).