2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid

C12H11N3O3 — CID 107589800

IUPAC2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid
SMILESCc1cc(=O)n(-c2cncnc2)c(C)c1C(=O)O
InChIInChI=1S/C12H11N3O3/c1-7-3-10(16)15(8(2)11(7)12(17)18)9-4-13-6-14-5-9/h3-6H,1-2H3,(H,17,18)
InChIKeyMYOUYLBJAYWMFF-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.94
Rot. Bonds2

About 2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid (PubChem CID 107589800) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid
PubChem CID107589800
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid
SMILESCc1cc(=O)n(-c2cncnc2)c(C)c1C(=O)O
InChIInChI=1S/C12H11N3O3/c1-7-3-10(16)15(8(2)11(7)12(17)18)9-4-13-6-14-5-9/h3-6H,1-2H3,(H,17,18)
InChIKeyMYOUYLBJAYWMFF-UHFFFAOYSA-N
XLogP0.94
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1-pyrimidin-5-ylpyridin-2-one
CID 44544878
6-Methyl-4-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid
CID 89983003
3,7-Dimethyl-8-pyrimidin-5-yl-2-aza-8-azoniabicyclo[4.2.0]octa-1(8),2,4,6-tetraene-5-carboxylic acid
CID 123254181
Methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate
CID 166563655
1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 171478147
3-Propan-2-yl-1-pyrimidin-5-ylpyridin-2-one
CID 177200077
6-Oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid
CID 55108744
1-[(2-Methylpyrimidin-4-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 61863589
2,4-Dimethyl-1-[(2-methylpyrimidin-4-yl)methyl]-6-oxopyridine-3-carboxylic acid
CID 61863590
4,6-Dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)pyridine-3-carboxylic acid
CID 62861410
2-Ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-enoic acid
CID 77101970
2-Oxo-1-(pyrimidin-2-ylmethyl)pyridine-4-carboxylic acid
CID 82901687

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid (CID 107589800) is 2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid is Cc1cc(=O)n(-c2cncnc2)c(C)c1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid?
The InChIKey is MYOUYLBJAYWMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7-3-10(16)15(8(2)11(7)12(17)18)9-4-13-6-14-5-9/h3-6H,1-2H3,(H,17,18).
What are the key properties of 2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 107589800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).