2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C11H15N3O4 — CID 79668739

IUPAC2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCN1CCOC(c2ncc(C(=O)O)c(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O4/c1-2-14-3-4-18-8(6-14)9-12-5-7(11(16)17)10(15)13-9/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyXSNRPKOLXIBCIQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.14
Rot. Bonds3

About 2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 79668739) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID79668739
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCN1CCOC(c2ncc(C(=O)O)c(=O)[nH]2)C1
InChIInChI=1S/C11H15N3O4/c1-2-14-3-4-18-8(6-14)9-12-5-7(11(16)17)10(15)13-9/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyXSNRPKOLXIBCIQ-UHFFFAOYSA-N
XLogP-0.14
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 79668739) is 2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CCN1CCOC(c2ncc(C(=O)O)c(=O)[nH]2)C1.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is XSNRPKOLXIBCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-14-3-4-18-8(6-14)9-12-5-7(11(16)17)10(15)13-9/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79668739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).