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

C10H13N3O4 — CID 79089533

IUPAC2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCN1CCOC(c2ncc(C(=O)O)c(=O)[nH]2)C1
InChIInChI=1S/C10H13N3O4/c1-13-2-3-17-7(5-13)8-11-4-6(10(15)16)9(14)12-8/h4,7H,2-3,5H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyMBQJSPWKRQCJKG-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.53
Rot. Bonds2

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

2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 79089533) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID79089533
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCN1CCOC(c2ncc(C(=O)O)c(=O)[nH]2)C1
InChIInChI=1S/C10H13N3O4/c1-13-2-3-17-7(5-13)8-11-4-6(10(15)16)9(14)12-8/h4,7H,2-3,5H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyMBQJSPWKRQCJKG-UHFFFAOYSA-N
XLogP-0.53
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 79089533) is 2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CN1CCOC(c2ncc(C(=O)O)c(=O)[nH]2)C1.
What is the InChIKey of 2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is MBQJSPWKRQCJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-13-2-3-17-7(5-13)8-11-4-6(10(15)16)9(14)12-8/h4,7H,2-3,5H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79089533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).