3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C11H15N3O4 — CID 137015841

IUPAC3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCc1nc(NC2(C(=O)O)CCOC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-2-7-12-8(5-9(15)13-7)14-11(10(16)17)3-4-18-6-11/h5H,2-4,6H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyGETWPEGEWPCBPL-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.01
Rot. Bonds4

About 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 137015841) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID137015841
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCc1nc(NC2(C(=O)O)CCOC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-2-7-12-8(5-9(15)13-7)14-11(10(16)17)3-4-18-6-11/h5H,2-4,6H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyGETWPEGEWPCBPL-UHFFFAOYSA-N
XLogP-0.01
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 137015841) is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is CCc1nc(NC2(C(=O)O)CCOC2)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is GETWPEGEWPCBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-7-12-8(5-9(15)13-7)14-11(10(16)17)3-4-18-6-11/h5H,2-4,6H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 137015841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).