2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

C12H15N3O6 — CID 130365775

IUPAC2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(=O)C(C)CNC(=O)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H15N3O6/c1-3-21-12(20)6(2)4-14-10(17)8-13-5-7(11(18)19)9(16)15-8/h5-6H,3-4H2,1-2H3,(H,14,17)(H,18,19)(H,13,15,16)
InChIKeyHQLSCZDGLHEOQU-UHFFFAOYSA-N
MW297.27 g/mol
LogP-0.60
Rot. Bonds6

About 2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 130365775) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID130365775
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Name2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(=O)C(C)CNC(=O)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C12H15N3O6/c1-3-21-12(20)6(2)4-14-10(17)8-13-5-7(11(18)19)9(16)15-8/h5-6H,3-4H2,1-2H3,(H,14,17)(H,18,19)(H,13,15,16)
InChIKeyHQLSCZDGLHEOQU-UHFFFAOYSA-N
XLogP-0.60
TPSA138.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 130365775) is 2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is CCOC(=O)C(C)CNC(=O)c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is HQLSCZDGLHEOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-3-21-12(20)6(2)4-14-10(17)8-13-5-7(11(18)19)9(16)15-8/h5-6H,3-4H2,1-2H3,(H,14,17)(H,18,19)(H,13,15,16).
What are the key properties of 2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 130365775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).