1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione

C11H15IN2O4 — CID 174006554

IUPAC1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](n2cc(CO)c(=O)[nH]c2=O)CC1I
InChIInChI=1S/C11H15IN2O4/c1-2-8-7(12)3-9(18-8)14-4-6(5-15)10(16)13-11(14)17/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7?,8-,9-/m1/s1
InChIKeyWAAWMPBNICJWKA-CFCGPWAMSA-N
MW366.16 g/mol
LogP0.53
Rot. Bonds3

About 1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione

1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione (PubChem CID 174006554) has the molecular formula C11H15IN2O4 and a molecular weight of 366.16 g/mol. Its IUPAC name is 1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
PubChem CID174006554
Molecular FormulaC11H15IN2O4
Molecular Weight366.16 g/mol
Exact Mass366.01
IUPAC Name1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](n2cc(CO)c(=O)[nH]c2=O)CC1I
InChIInChI=1S/C11H15IN2O4/c1-2-8-7(12)3-9(18-8)14-4-6(5-15)10(16)13-11(14)17/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7?,8-,9-/m1/s1
InChIKeyWAAWMPBNICJWKA-CFCGPWAMSA-N
XLogP0.53
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.16
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1-[(2S,5S)-5-(hydroxymethyl)-4-iodooxolan-2-yl]pyrimidine-2,4-dione
CID 57209657
5-butyl-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67067016
5-(ethylsulfanylmethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6481569
5-(diethylaminomethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 131885942
5-(ethoxymethyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 90863231
5-(2-hydroxyethyl)-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71749030
dimethoxyphosphoryl [[(2R,5R)-3-hydroxy-5-[5-(hydroxymethyl)-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methoxy-methoxyphosphoryl] methyl phosphate
CID 70876015
1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,5S)-2-ethyl-5-propyloxolan-3-ol
CID 160597133
1-[(2R,4R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;(2R,3R,5S)-2-ethyl-5-propyloxolan-3-ol
CID 160597134
5-(ethoxymethyl)-1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67942314
ethyl 2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 13023019
5-(2-bromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 22211374

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione (CID 174006554) is 1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione is CC[C@H]1O[C@@H](n2cc(CO)c(=O)[nH]c2=O)CC1I.
What is the InChIKey of 1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?
The InChIKey is WAAWMPBNICJWKA-CFCGPWAMSA-N. The full InChI is InChI=1S/C11H15IN2O4/c1-2-8-7(12)3-9(18-8)14-4-6(5-15)10(16)13-11(14)17/h4,7-9,15H,2-3,5H2,1H3,(H,13,16,17)/t7?,8-,9-/m1/s1.
What are the key properties of 1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione?
1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione has a molecular weight of 366.16 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-ethyl-4-iodooxolan-2-yl]-5-(hydroxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 174006554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).