N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide

C15H15BrN6O3 — CID 1017559

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
SMILESCc1nc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)ccc1Br
InChIInChI=1S/C15H15BrN6O3/c1-8-9(16)4-5-10(18-8)19-11(23)6-22-7-17-12-13(22)20(2)15(25)21(3)14(12)24/h4-5,7H,6H2,1-3H3,(H,18,19,23)
InChIKeyYRVDQGDYZYEBKM-UHFFFAOYSA-N
MW407.23 g/mol
LogP0.54
Rot. Bonds3

About N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide (PubChem CID 1017559) has the molecular formula C15H15BrN6O3 and a molecular weight of 407.23 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
PubChem CID1017559
Molecular FormulaC15H15BrN6O3
Molecular Weight407.23 g/mol
Exact Mass406.04
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide
SMILESCc1nc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)ccc1Br
InChIInChI=1S/C15H15BrN6O3/c1-8-9(16)4-5-10(18-8)19-11(23)6-22-7-17-12-13(22)20(2)15(25)21(3)14(12)24/h4-5,7H,6H2,1-3H3,(H,18,19,23)
InChIKeyYRVDQGDYZYEBKM-UHFFFAOYSA-N
XLogP0.54
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide (CID 1017559) is N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide is Cc1nc(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide?
The InChIKey is YRVDQGDYZYEBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O3/c1-8-9(16)4-5-10(18-8)19-11(23)6-22-7-17-12-13(22)20(2)15(25)21(3)14(12)24/h4-5,7H,6H2,1-3H3,(H,18,19,23).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide has a molecular weight of 407.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide is sourced from PubChem (CID 1017559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).