5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid

C9H12N2O4 — CID 162657086

IUPAC5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1nc(C(=O)O)c(O)c(=O)n1C
InChIInChI=1S/C9H12N2O4/c1-4(2)7-10-5(9(14)15)6(12)8(13)11(7)3/h4,12H,1-3H3,(H,14,15)
InChIKeyJJCOQEQXQFKKTB-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.31
Rot. Bonds2

About 5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid

5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 162657086) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID162657086
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCC(C)c1nc(C(=O)O)c(O)c(=O)n1C
InChIInChI=1S/C9H12N2O4/c1-4(2)7-10-5(9(14)15)6(12)8(13)11(7)3/h4,12H,1-3H3,(H,14,15)
InChIKeyJJCOQEQXQFKKTB-UHFFFAOYSA-N
XLogP0.31
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 162657086) is 5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid is CC(C)c1nc(C(=O)O)c(O)c(=O)n1C.
What is the InChIKey of 5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is JJCOQEQXQFKKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4(2)7-10-5(9(14)15)6(12)8(13)11(7)3/h4,12H,1-3H3,(H,14,15).
What are the key properties of 5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-6-oxo-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 162657086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).