5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione

C9H11N5O4 — CID 14056611

IUPAC5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILES[N-]=[N+]=NC1CC(c2c[nH]c(=O)[nH]c2=O)OC1CO
InChIInChI=1S/C9H11N5O4/c10-14-13-5-1-6(18-7(5)3-15)4-2-11-9(17)12-8(4)16/h2,5-7,15H,1,3H2,(H2,11,12,16,17)
InChIKeyHQWPHQAIJAAPEE-UHFFFAOYSA-N
MW253.22 g/mol
LogP-0.44
Rot. Bonds3

About 5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione

5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 14056611) has the molecular formula C9H11N5O4 and a molecular weight of 253.22 g/mol. Its IUPAC name is 5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID14056611
Molecular FormulaC9H11N5O4
Molecular Weight253.22 g/mol
Exact Mass253.08
IUPAC Name5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
SMILES[N-]=[N+]=NC1CC(c2c[nH]c(=O)[nH]c2=O)OC1CO
InChIInChI=1S/C9H11N5O4/c10-14-13-5-1-6(18-7(5)3-15)4-2-11-9(17)12-8(4)16/h2,5-7,15H,1,3H2,(H2,11,12,16,17)
InChIKeyHQWPHQAIJAAPEE-UHFFFAOYSA-N
XLogP-0.44
TPSA143.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-[5-(nitrosomethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 144981917
5-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 66795639
5-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-pyrimidine-2,4-dione
CID 70685906
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(di(18F)fluoromethyl)pyrimidine-2,4-dione
CID 11998506
5-[5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
CID 5251904
1-[(2R,5R)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 6334745
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 14351976
5-azido-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10424498
[(2S,3R,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 140536388
[(2S,5S)-3-azido-5-methyloxolan-2-yl]methanol
CID 59967386
1-[(2R,4R,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-(trideuteriomethyl)pyrimidine-2,4-dione
CID 46780519
1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-hexylpyrimidine-2,4-dione
CID 169493538

Frequently Asked Questions

What is the IUPAC name of 5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione (CID 14056611) is 5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione is [N-]=[N+]=NC1CC(c2c[nH]c(=O)[nH]c2=O)OC1CO.
What is the InChIKey of 5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is HQWPHQAIJAAPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4/c10-14-13-5-1-6(18-7(5)3-15)4-2-11-9(17)12-8(4)16/h2,5-7,15H,1,3H2,(H2,11,12,16,17).
What are the key properties of 5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 253.22 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 14056611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).