2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide

C18H16N6O3 — CID 58758762

IUPAC2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc3c(-c4ccco4)nc(N)nc32)c1
InChIInChI=1S/C18H16N6O3/c1-26-12-5-2-4-11(8-12)21-14(25)9-24-10-20-16-15(13-6-3-7-27-13)22-18(19)23-17(16)24/h2-8,10H,9H2,1H3,(H,21,25)(H2,19,22,23)
InChIKeyPJOZUABPHJBLII-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.32
Rot. Bonds5

About 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide

2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 58758762) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID58758762
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc3c(-c4ccco4)nc(N)nc32)c1
InChIInChI=1S/C18H16N6O3/c1-26-12-5-2-4-11(8-12)21-14(25)9-24-10-20-16-15(13-6-3-7-27-13)22-18(19)23-17(16)24/h2-8,10H,9H2,1H3,(H,21,25)(H2,19,22,23)
InChIKeyPJOZUABPHJBLII-UHFFFAOYSA-N
XLogP2.32
TPSA121.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-methylacetamide
CID 59834969
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-propylacetamide
CID 59835055
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 60911842
9-[(E)-but-2-enyl]-6-(furan-2-yl)purin-2-amine
CID 59834966
N-(3-chlorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363762
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
6-(furan-2-yl)-9-(3-pyridin-4-ylpropyl)purin-2-amine
CID 59835097
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 121090719
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 46584174
2-[3-[(4-chlorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 20869514
N-(4-fluorophenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363757

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide (CID 58758762) is 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cnc3c(-c4ccco4)nc(N)nc32)c1.
What is the InChIKey of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is PJOZUABPHJBLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-26-12-5-2-4-11(8-12)21-14(25)9-24-10-20-16-15(13-6-3-7-27-13)22-18(19)23-17(16)24/h2-8,10H,9H2,1H3,(H,21,25)(H2,19,22,23).
What are the key properties of 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide?
2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 364.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(furan-2-yl)purin-9-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 58758762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).