methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate

C11H15N3O4 — CID 136989661

IUPACmethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H15N3O4/c1-17-8-9(12-6-13-10(8)15)14-5-3-4-7(14)11(16)18-2/h6-7H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyOEWLJHDGBUEAEJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.08
Rot. Bonds3

About methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate

methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 136989661) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
PubChem CID136989661
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1c1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H15N3O4/c1-17-8-9(12-6-13-10(8)15)14-5-3-4-7(14)11(16)18-2/h6-7H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyOEWLJHDGBUEAEJ-UHFFFAOYSA-N
XLogP-0.08
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (CID 136989661) is methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1c1nc[nH]c(=O)c1OC.
What is the InChIKey of methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is OEWLJHDGBUEAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-8-9(12-6-13-10(8)15)14-5-3-4-7(14)11(16)18-2/h6-7H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 253.26 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 136989661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).