2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid

C13H13N3O4 — CID 154634602

IUPAC2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)c1[nH]c(=O)n(-c2ccccn2)c(=O)c1C(=O)O
InChIInChI=1S/C13H13N3O4/c1-7(2)10-9(12(18)19)11(17)16(13(20)15-10)8-5-3-4-6-14-8/h3-7H,1-2H3,(H,15,20)(H,18,19)
InChIKeyLOLIVWCOMULYGK-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.74
Rot. Bonds3

About 2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid

2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid (PubChem CID 154634602) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid
PubChem CID154634602
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)c1[nH]c(=O)n(-c2ccccn2)c(=O)c1C(=O)O
InChIInChI=1S/C13H13N3O4/c1-7(2)10-9(12(18)19)11(17)16(13(20)15-10)8-5-3-4-6-14-8/h3-7H,1-2H3,(H,15,20)(H,18,19)
InChIKeyLOLIVWCOMULYGK-UHFFFAOYSA-N
XLogP0.74
TPSA105.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84672243
1-pyridin-2-yl-3,7-dihydropurine-2,6-dione
CID 170328644
5-fluoro-3-pyridin-2-yl-1H-quinazoline-2,4-dione
CID 117261022
[6-(4-hydroxy-5-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)-3-pyridinyl] 4-pyridin-2-ylpiperazine-1-carboxylate
CID 90791213
5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
4,8-dibromo-2,6-dipyridin-2-ylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 23823306
3-pyridin-2-yl-1H-1,3,5-triazine-2,4-dione
CID 175968865
4-pyridin-2-yl-1,2,4-dithiazolidine-3,5-dione
CID 163929369
1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone
CID 170580254
2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one
CID 132502686
3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
CID 86705136
3-propan-2-yl-2-pyridin-2-yl-1H-1,2,4-triazol-5-one
CID 13091850

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid (CID 154634602) is 2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid is CC(C)c1[nH]c(=O)n(-c2ccccn2)c(=O)c1C(=O)O.
What is the InChIKey of 2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid?
The InChIKey is LOLIVWCOMULYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-7(2)10-9(12(18)19)11(17)16(13(20)15-10)8-5-3-4-6-14-8/h3-7H,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid?
2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 154634602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).