N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C11H9BrN4O3 — CID 79048283

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(NC(=O)c2c[nH]c(=O)[nH]c2=O)ccc1Br
InChIInChI=1S/C11H9BrN4O3/c1-5-7(12)2-3-8(14-5)15-9(17)6-4-13-11(19)16-10(6)18/h2-4H,1H3,(H,14,15,17)(H2,13,16,18,19)
InChIKeySZQGGASHXJINLZ-UHFFFAOYSA-N
MW325.12 g/mol
LogP0.78
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 79048283) has the molecular formula C11H9BrN4O3 and a molecular weight of 325.12 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID79048283
Molecular FormulaC11H9BrN4O3
Molecular Weight325.12 g/mol
Exact Mass323.99
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(NC(=O)c2c[nH]c(=O)[nH]c2=O)ccc1Br
InChIInChI=1S/C11H9BrN4O3/c1-5-7(12)2-3-8(14-5)15-9(17)6-4-13-11(19)16-10(6)18/h2-4H,1H3,(H,14,15,17)(H2,13,16,18,19)
InChIKeySZQGGASHXJINLZ-UHFFFAOYSA-N
XLogP0.78
TPSA107.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 79048283) is N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cc1nc(NC(=O)c2c[nH]c(=O)[nH]c2=O)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SZQGGASHXJINLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O3/c1-5-7(12)2-3-8(14-5)15-9(17)6-4-13-11(19)16-10(6)18/h2-4H,1H3,(H,14,15,17)(H2,13,16,18,19).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 325.12 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 79048283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).