4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one

C8H10N2O3 — CID 141159198

IUPAC4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one
SMILESCOc1ccn(C[C@H]2CO2)c(=O)n1
InChIInChI=1S/C8H10N2O3/c1-12-7-2-3-10(8(11)9-7)4-6-5-13-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1
InChIKeyXWPMXEQZZUCVHO-LURJTMIESA-N
MW182.18 g/mol
LogP-0.35
Rot. Bonds3

About 4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one

4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one (PubChem CID 141159198) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one
PubChem CID141159198
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one
SMILESCOc1ccn(C[C@H]2CO2)c(=O)n1
InChIInChI=1S/C8H10N2O3/c1-12-7-2-3-10(8(11)9-7)4-6-5-13-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1
InChIKeyXWPMXEQZZUCVHO-LURJTMIESA-N
XLogP-0.35
TPSA56.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one?
The IUPAC name of 4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one (CID 141159198) is 4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one.
What is the SMILES notation for 4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one?
The canonical SMILES for 4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one is COc1ccn(C[C@H]2CO2)c(=O)n1.
What is the InChIKey of 4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one?
The InChIKey is XWPMXEQZZUCVHO-LURJTMIESA-N. The full InChI is InChI=1S/C8H10N2O3/c1-12-7-2-3-10(8(11)9-7)4-6-5-13-6/h2-3,6H,4-5H2,1H3/t6-/m0/s1.
What are the key properties of 4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one?
4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one has a molecular weight of 182.18 g/mol, XLogP of -0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[[(2S)-oxiran-2-yl]methyl]pyrimidin-2-one is sourced from PubChem (CID 141159198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).