1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione

C9H12N2O3Se — CID 25147788

IUPAC1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2CC[C@@H](CO)[Se]2)c(=O)[nH]1
InChIInChI=1S/C9H12N2O3Se/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8+/m0/s1
InChIKeyWFRJZDQHVBXOLF-POYBYMJQSA-N
MW275.17 g/mol
LogP-0.69
Rot. Bonds2

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

1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione (PubChem CID 25147788) has the molecular formula C9H12N2O3Se and a molecular weight of 275.17 g/mol. Its IUPAC name is 1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione
PubChem CID25147788
Molecular FormulaC9H12N2O3Se
Molecular Weight275.17 g/mol
Exact Mass276.00
IUPAC Name1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2CC[C@@H](CO)[Se]2)c(=O)[nH]1
InChIInChI=1S/C9H12N2O3Se/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8+/m0/s1
InChIKeyWFRJZDQHVBXOLF-POYBYMJQSA-N
XLogP-0.69
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 727958
1-[(2S,5R)-3-[[(2S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-(hydroxymethyl)-2,5-dihydrofuran-3-yl]disulfanyl]-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 87646835
1-[(1S,2R,3R)-2-fluoro-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
CID 66739562
1-[(2S,4S,5S)-2,5-bis(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidine-2,4-dione
CID 15404713
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 15172860
1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
CID 67751450
1-[3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 14578322
1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
CID 5278750
1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 19775087

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione (CID 25147788) is 1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@H]2CC[C@@H](CO)[Se]2)c(=O)[nH]1.
What is the InChIKey of 1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is WFRJZDQHVBXOLF-POYBYMJQSA-N. The full InChI is InChI=1S/C9H12N2O3Se/c12-5-6-1-2-8(15-6)11-4-3-7(13)10-9(11)14/h3-4,6,8,12H,1-2,5H2,(H,10,13,14)/t6-,8+/m0/s1.
What are the key properties of 1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 275.17 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-5-(hydroxymethyl)selenolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 25147788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).