5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione

C13H18N2O5 — CID 13149088

IUPAC5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCOC[C@@H]1C=C[C@@H](c2cn(C)c(=O)n(C)c2=O)O1
InChIInChI=1S/C13H18N2O5/c1-14-6-10(12(16)15(2)13(14)17)11-5-4-9(20-11)7-19-8-18-3/h4-6,9,11H,7-8H2,1-3H3/t9-,11-/m0/s1
InChIKeyXGNGZPPYZQKIQE-ONGXEEELSA-N
MW282.30 g/mol
LogP-0.30
Rot. Bonds5

About 5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione

5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 13149088) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID13149088
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOCOC[C@@H]1C=C[C@@H](c2cn(C)c(=O)n(C)c2=O)O1
InChIInChI=1S/C13H18N2O5/c1-14-6-10(12(16)15(2)13(14)17)11-5-4-9(20-11)7-19-8-18-3/h4-6,9,11H,7-8H2,1-3H3/t9-,11-/m0/s1
InChIKeyXGNGZPPYZQKIQE-ONGXEEELSA-N
XLogP-0.30
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione (CID 13149088) is 5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione is COCOC[C@@H]1C=C[C@@H](c2cn(C)c(=O)n(C)c2=O)O1.
What is the InChIKey of 5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is XGNGZPPYZQKIQE-ONGXEEELSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-14-6-10(12(16)15(2)13(14)17)11-5-4-9(20-11)7-19-8-18-3/h4-6,9,11H,7-8H2,1-3H3/t9-,11-/m0/s1.
What are the key properties of 5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of -0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,5S)-5-(methoxymethoxymethyl)-2,5-dihydrofuran-2-yl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 13149088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).