1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione

C13H20N2O5Se — CID 140614756

IUPAC1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione
SMILESCC(C)[Se]Cc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O5Se/c1-7(2)21-6-8-4-15(13(19)14-12(8)18)11-3-9(17)10(5-16)20-11/h4,7,9-11,16-17H,3,5-6H2,1-2H3,(H,14,18,19)/t9?,10-,11-/m1/s1
InChIKeyUXUZDEPSUBNPSO-FHZGLPGMSA-N
MW363.27 g/mol
LogP-0.79
Rot. Bonds5

About 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione

1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione (PubChem CID 140614756) has the molecular formula C13H20N2O5Se and a molecular weight of 363.27 g/mol. Its IUPAC name is 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione
PubChem CID140614756
Molecular FormulaC13H20N2O5Se
Molecular Weight363.27 g/mol
Exact Mass364.05
IUPAC Name1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione
SMILESCC(C)[Se]Cc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]c1=O
InChIInChI=1S/C13H20N2O5Se/c1-7(2)21-6-8-4-15(13(19)14-12(8)18)11-3-9(17)10(5-16)20-11/h4,7,9-11,16-17H,3,5-6H2,1-2H3,(H,14,18,19)/t9?,10-,11-/m1/s1
InChIKeyUXUZDEPSUBNPSO-FHZGLPGMSA-N
XLogP-0.79
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclopropylselanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 140614758
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(4-methylphenyl)selanylmethyl]pyrimidine-2,4-dione
CID 159817123
5-(2-hydroxyethyl)-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 71749030
5-(ethoxymethyl)-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 90863231
5-butyl-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67067016
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
5-(2-bromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 22211374
N-[[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]acetamide
CID 90674797
5-(ethylsulfanylmethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6481569
methyl 2-[1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
CID 70567340
5-(diethylaminomethyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 131885942

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione (CID 140614756) is 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione is CC(C)[Se]Cc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione?
The InChIKey is UXUZDEPSUBNPSO-FHZGLPGMSA-N. The full InChI is InChI=1S/C13H20N2O5Se/c1-7(2)21-6-8-4-15(13(19)14-12(8)18)11-3-9(17)10(5-16)20-11/h4,7,9-11,16-17H,3,5-6H2,1-2H3,(H,14,18,19)/t9?,10-,11-/m1/s1.
What are the key properties of 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione?
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione has a molecular weight of 363.27 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-ylselanylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 140614756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).