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

C13H19N3O5 — CID 136959183

IUPAC4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(c1nc[nH]c(=O)c1OC)C1COCC1C(=O)O
InChIInChI=1S/C13H19N3O5/c1-3-4-16(9-6-21-5-8(9)13(18)19)11-10(20-2)12(17)15-7-14-11/h7-9H,3-6H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyUHHBYSORAAKENF-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.09
Rot. Bonds6

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

4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 136959183) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
PubChem CID136959183
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(c1nc[nH]c(=O)c1OC)C1COCC1C(=O)O
InChIInChI=1S/C13H19N3O5/c1-3-4-16(9-6-21-5-8(9)13(18)19)11-10(20-2)12(17)15-7-14-11/h7-9H,3-6H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyUHHBYSORAAKENF-UHFFFAOYSA-N
XLogP0.09
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid (CID 136959183) is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid is CCCN(c1nc[nH]c(=O)c1OC)C1COCC1C(=O)O.
What is the InChIKey of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is UHHBYSORAAKENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-3-4-16(9-6-21-5-8(9)13(18)19)11-10(20-2)12(17)15-7-14-11/h7-9H,3-6H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid?
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).