4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C12H17N3O5 — CID 136959178

IUPAC4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(c1nc[nH]c(=O)c1OC)C1COCC1C(=O)O
InChIInChI=1S/C12H17N3O5/c1-3-15(8-5-20-4-7(8)12(17)18)10-9(19-2)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyUMYMZMDKKAMXJZ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.30
Rot. Bonds5

About 4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 136959178) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID136959178
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(c1nc[nH]c(=O)c1OC)C1COCC1C(=O)O
InChIInChI=1S/C12H17N3O5/c1-3-15(8-5-20-4-7(8)12(17)18)10-9(19-2)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,17,18)(H,13,14,16)
InChIKeyUMYMZMDKKAMXJZ-UHFFFAOYSA-N
XLogP-0.30
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 136959178) is 4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is CCN(c1nc[nH]c(=O)c1OC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is UMYMZMDKKAMXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-15(8-5-20-4-7(8)12(17)18)10-9(19-2)11(16)14-6-13-10/h6-8H,3-5H2,1-2H3,(H,17,18)(H,13,14,16).
What are the key properties of 4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).