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

C9H10N2O4 — CID 23262456

IUPAC1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione
SMILESCC1CC(n2ccc(=O)[nH]c2=O)C(=O)O1
InChIInChI=1S/C9H10N2O4/c1-5-4-6(8(13)15-5)11-3-2-7(12)10-9(11)14/h2-3,5-6H,4H2,1H3,(H,10,12,14)
InChIKeyKQKLCHOOEFSNQO-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.59
Rot. Bonds1

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

1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione (PubChem CID 23262456) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione
PubChem CID23262456
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione
SMILESCC1CC(n2ccc(=O)[nH]c2=O)C(=O)O1
InChIInChI=1S/C9H10N2O4/c1-5-4-6(8(13)15-5)11-3-2-7(12)10-9(11)14/h2-3,5-6H,4H2,1H3,(H,10,12,14)
InChIKeyKQKLCHOOEFSNQO-UHFFFAOYSA-N
XLogP-0.59
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione (CID 23262456) is 1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione is CC1CC(n2ccc(=O)[nH]c2=O)C(=O)O1.
What is the InChIKey of 1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione?
The InChIKey is KQKLCHOOEFSNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-5-4-6(8(13)15-5)11-3-2-7(12)10-9(11)14/h2-3,5-6H,4H2,1H3,(H,10,12,14).
What are the key properties of 1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione?
1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione has a molecular weight of 210.19 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-oxooxolan-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 23262456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).