5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione

C8H9N3O4 — CID 165482457

IUPAC5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione
SMILESNc1cn(C2CCOC2=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O4/c9-4-3-11(8(14)10-6(4)12)5-1-2-15-7(5)13/h3,5H,1-2,9H2,(H,10,12,14)
InChIKeyCZLMBJBAVXHXHN-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.39
Rot. Bonds1

About 5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione

5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione (PubChem CID 165482457) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione
PubChem CID165482457
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione
SMILESNc1cn(C2CCOC2=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O4/c9-4-3-11(8(14)10-6(4)12)5-1-2-15-7(5)13/h3,5H,1-2,9H2,(H,10,12,14)
InChIKeyCZLMBJBAVXHXHN-UHFFFAOYSA-N
XLogP-1.39
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-1-[(3S)-2-oxooxolan-3-yl]pyrimidine-2,4-dione
CID 712433
5-bromo-1-(2-oxooxolan-3-yl)-4-sulfanylidenepyrimidin-2-one
CID 23272208
1-(2-oxooxolan-3-yl)-4-sulfanylidenepyrimidin-2-one
CID 23272220
5-amino-1-pyrrolidin-2-ylpyrimidine-2,4-dione
CID 115114622
5-amino-1-(thiolan-2-yl)pyrimidine-2,4-dione
CID 115114621
5-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70974098
5-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 7272022
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
5-amino-1-(cyclopropylmethoxymethyl)pyrimidine-2,4-dione
CID 106929489
5-amino-1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57310202
5-amino-1-[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 7457383
5-amino-1-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 125183085

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione (CID 165482457) is 5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione is Nc1cn(C2CCOC2=O)c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione?
The InChIKey is CZLMBJBAVXHXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c9-4-3-11(8(14)10-6(4)12)5-1-2-15-7(5)13/h3,5H,1-2,9H2,(H,10,12,14).
What are the key properties of 5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione?
5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione has a molecular weight of 211.18 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-oxooxolan-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 165482457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).