5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C11H15IN2O5 — CID 70875165

IUPAC5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@H]1OC
InChIInChI=1S/C11H15IN2O5/c1-17-5-8-7(18-2)3-9(19-8)14-4-6(12)10(15)13-11(14)16/h4,7-9H,3,5H2,1-2H3,(H,13,15,16)/t7-,8+,9+/m0/s1
InChIKeyDFRRDUIVXGTYOH-DJLDLDEBSA-N
MW382.15 g/mol
LogP0.09
Rot. Bonds4

About 5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 70875165) has the molecular formula C11H15IN2O5 and a molecular weight of 382.15 g/mol. Its IUPAC name is 5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID70875165
Molecular FormulaC11H15IN2O5
Molecular Weight382.15 g/mol
Exact Mass382.00
IUPAC Name5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@H]1OC
InChIInChI=1S/C11H15IN2O5/c1-17-5-8-7(18-2)3-9(19-8)14-4-6(12)10(15)13-11(14)16/h4,7-9H,3,5H2,1-2H3,(H,13,15,16)/t7-,8+,9+/m0/s1
InChIKeyDFRRDUIVXGTYOH-DJLDLDEBSA-N
XLogP0.09
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.15
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-1-[4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 20613084
1-[(2R,5R)-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 70996457
5-(3-hydroxyprop-1-enyl)-1-[4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 58741946
[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-(methoxymethyl)oxolan-3-yl] hypoiodite
CID 139373191
5-ethenyl-1-[4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;prop-2-en-1-ol
CID 90785140
1-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylsulfanyloxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 140914218
1-[(4S,5R)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 68952088
1-[(2S,4R,5S)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 90702057
1-[(2R,4S,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 67785008
[3-hydroxy-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate
CID 23276080
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] nitrate
CID 10092318
[(2R,3S,5R)-3-fluoro-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 18648376

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 70875165) is 5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is COC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C[C@@H]1OC.
What is the InChIKey of 5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is DFRRDUIVXGTYOH-DJLDLDEBSA-N. The full InChI is InChI=1S/C11H15IN2O5/c1-17-5-8-7(18-2)3-9(19-8)14-4-6(12)10(15)13-11(14)16/h4,7-9H,3,5H2,1-2H3,(H,13,15,16)/t7-,8+,9+/m0/s1.
What are the key properties of 5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 382.15 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[(2R,4S,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 70875165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).