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

C11H15N3O4 — CID 136959175

IUPAC4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(c1cc(=O)[nH]cn1)C1COCC1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-14(9-3-10(15)13-6-12-9)8-5-18-4-7(8)11(16)17/h3,6-8H,2,4-5H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyAVGBMAIBNYFTCL-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.30
Rot. Bonds4

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

4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 136959175) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID136959175
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(c1cc(=O)[nH]cn1)C1COCC1C(=O)O
InChIInChI=1S/C11H15N3O4/c1-2-14(9-3-10(15)13-6-12-9)8-5-18-4-7(8)11(16)17/h3,6-8H,2,4-5H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyAVGBMAIBNYFTCL-UHFFFAOYSA-N
XLogP-0.30
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959068
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959165
4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959166
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959167
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959168
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959169
4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959170
4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959171
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]oxolane-3-carboxylic acid
CID 136959172
4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959173
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid
CID 136959174
4-[ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959176

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 136959175) is 4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is CCN(c1cc(=O)[nH]cn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is AVGBMAIBNYFTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-14(9-3-10(15)13-6-12-9)8-5-18-4-7(8)11(16)17/h3,6-8H,2,4-5H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).