2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C8H10N2O4 — CID 30031665

IUPAC2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOCCc1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-14-3-2-6-9-4-5(8(12)13)7(11)10-6/h4H,2-3H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyMZDOCUNAKMYSJT-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.34
Rot. Bonds4

About 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 30031665) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID30031665
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOCCc1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-14-3-2-6-9-4-5(8(12)13)7(11)10-6/h4H,2-3H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyMZDOCUNAKMYSJT-UHFFFAOYSA-N
XLogP-0.34
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 30031665) is 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is COCCc1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is MZDOCUNAKMYSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-14-3-2-6-9-4-5(8(12)13)7(11)10-6/h4H,2-3H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 30031665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).