2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide

C16H17N5O3 — CID 775387

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H17N5O3/c1-10-6-4-5-7-11(10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2/h4-7,9H,8H2,1-3H3,(H,18,22)
InChIKeyOAASGXFNRLHVGT-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.38
Rot. Bonds3

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide (PubChem CID 775387) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide
PubChem CID775387
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H17N5O3/c1-10-6-4-5-7-11(10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2/h4-7,9H,8H2,1-3H3,(H,18,22)
InChIKeyOAASGXFNRLHVGT-UHFFFAOYSA-N
XLogP0.38
TPSA90.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 86280523
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CID 978607

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide (CID 775387) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is OAASGXFNRLHVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-6-4-5-7-11(10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2/h4-7,9H,8H2,1-3H3,(H,18,22).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 327.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 775387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).