2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide

C20H17N5O4 — CID 24937987

IUPAC2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide
SMILESCOc1ccccc1-n1c(=O)[nH]c2c(CC(N)=O)nc(-c3cccc(O)c3)nc21
InChIInChI=1S/C20H17N5O4/c1-29-15-8-3-2-7-14(15)25-19-17(23-20(25)28)13(10-16(21)27)22-18(24-19)11-5-4-6-12(26)9-11/h2-9,26H,10H2,1H3,(H2,21,27)(H,23,28)
InChIKeyMSGBKMKTJFQGIZ-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.52
Rot. Bonds5

About 2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide

2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide (PubChem CID 24937987) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide.

Molecular Properties

Compound Name2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide
PubChem CID24937987
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide
SMILESCOc1ccccc1-n1c(=O)[nH]c2c(CC(N)=O)nc(-c3cccc(O)c3)nc21
InChIInChI=1S/C20H17N5O4/c1-29-15-8-3-2-7-14(15)25-19-17(23-20(25)28)13(10-16(21)27)22-18(24-19)11-5-4-6-12(26)9-11/h2-9,26H,10H2,1H3,(H2,21,27)(H,23,28)
InChIKeyMSGBKMKTJFQGIZ-UHFFFAOYSA-N
XLogP1.52
TPSA136.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide?
The IUPAC name of 2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide (CID 24937987) is 2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide.
What is the SMILES notation for 2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide?
The canonical SMILES for 2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide is COc1ccccc1-n1c(=O)[nH]c2c(CC(N)=O)nc(-c3cccc(O)c3)nc21.
What is the InChIKey of 2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide?
The InChIKey is MSGBKMKTJFQGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-29-15-8-3-2-7-14(15)25-19-17(23-20(25)28)13(10-16(21)27)22-18(24-19)11-5-4-6-12(26)9-11/h2-9,26H,10H2,1H3,(H2,21,27)(H,23,28).
What are the key properties of 2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide?
2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide has a molecular weight of 391.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purin-6-yl]acetamide is sourced from PubChem (CID 24937987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).