2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

C15H17N7O3 — CID 787318

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C15H17N7O3/c1-8-5-9(2)18-14(17-8)19-10(23)6-22-7-16-12-11(22)13(24)21(4)15(25)20(12)3/h5,7H,6H2,1-4H3,(H,17,18,19,23)
InChIKeyIVDRGTJSKUSWEE-UHFFFAOYSA-N
MW343.35 g/mol
LogP-0.52
Rot. Bonds3

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 787318) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID787318
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C15H17N7O3/c1-8-5-9(2)18-14(17-8)19-10(23)6-22-7-16-12-11(22)13(24)21(4)15(25)20(12)3/h5,7H,6H2,1-4H3,(H,17,18,19,23)
InChIKeyIVDRGTJSKUSWEE-UHFFFAOYSA-N
XLogP-0.52
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 787318) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is IVDRGTJSKUSWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-8-5-9(2)18-14(17-8)19-10(23)6-22-7-16-12-11(22)13(24)21(4)15(25)20(12)3/h5,7H,6H2,1-4H3,(H,17,18,19,23).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 343.35 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 787318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).