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

C8H10N2O4 — CID 79617212

IUPAC2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(C)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-4(14-2)6-9-3-5(8(12)13)7(11)10-6/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyOHVVXYGWEUJBEW-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.18
Rot. Bonds3

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

2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 79617212) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID79617212
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(C)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-4(14-2)6-9-3-5(8(12)13)7(11)10-6/h3-4H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyOHVVXYGWEUJBEW-UHFFFAOYSA-N
XLogP0.18
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 79617212) is 2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is COC(C)c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is OHVVXYGWEUJBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4(14-2)6-9-3-5(8(12)13)7(11)10-6/h3-4H,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79617212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).