2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate

C10H12N3O4- — CID 136877507

IUPAC2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
SMILESO=C([O-])Cc1nc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c14-9-6-8(13-1-3-17-4-2-13)11-7(12-9)5-10(15)16/h6H,1-5H2,(H,15,16)(H,11,12,14)/p-1
InChIKeyKLCWILCHDGOMES-UHFFFAOYSA-M
MW238.22 g/mol
LogP-2.10
Rot. Bonds3

About 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate

2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate (PubChem CID 136877507) has the molecular formula C10H12N3O4- and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
PubChem CID136877507
Molecular FormulaC10H12N3O4-
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
SMILESO=C([O-])Cc1nc(N2CCOCC2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c14-9-6-8(13-1-3-17-4-2-13)11-7(12-9)5-10(15)16/h6H,1-5H2,(H,15,16)(H,11,12,14)/p-1
InChIKeyKLCWILCHDGOMES-UHFFFAOYSA-M
XLogP-2.10
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 5-2.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
The IUPAC name of 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate (CID 136877507) is 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate.
What is the SMILES notation for 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
The canonical SMILES for 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate is O=C([O-])Cc1nc(N2CCOCC2)cc(=O)[nH]1.
What is the InChIKey of 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
The InChIKey is KLCWILCHDGOMES-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13N3O4/c14-9-6-8(13-1-3-17-4-2-13)11-7(12-9)5-10(15)16/h6H,1-5H2,(H,15,16)(H,11,12,14)/p-1.
What are the key properties of 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate?
2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate has a molecular weight of 238.22 g/mol, XLogP of -2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate is sourced from PubChem (CID 136877507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).