4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid

C13H13N3O3 — CID 62861410

IUPAC4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid
SMILESCc1cc(C)n(Cc2ncccn2)c(=O)c1C(=O)O
InChIInChI=1S/C13H13N3O3/c1-8-6-9(2)16(12(17)11(8)13(18)19)7-10-14-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyZZWOAAIJFMWNMK-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.00
Rot. Bonds3

About 4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid

4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid (PubChem CID 62861410) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid
PubChem CID62861410
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid
SMILESCc1cc(C)n(Cc2ncccn2)c(=O)c1C(=O)O
InChIInChI=1S/C13H13N3O3/c1-8-6-9(2)16(12(17)11(8)13(18)19)7-10-14-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyZZWOAAIJFMWNMK-UHFFFAOYSA-N
XLogP1.00
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid (CID 62861410) is 4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid is Cc1cc(C)n(Cc2ncccn2)c(=O)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid?
The InChIKey is ZZWOAAIJFMWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-6-9(2)16(12(17)11(8)13(18)19)7-10-14-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid?
4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62861410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).