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

C9H12N2O3 — CID 551223

IUPAC3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESCn1c(=O)ccn(C2CCCO2)c1=O
InChIInChI=1S/C9H12N2O3/c1-10-7(12)4-5-11(9(10)13)8-3-2-6-14-8/h4-5,8H,2-3,6H2,1H3
InChIKeyUIPAFSYKUXWSKY-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.14
Rot. Bonds1

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

3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione (PubChem CID 551223) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione
PubChem CID551223
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione
SMILESCn1c(=O)ccn(C2CCCO2)c1=O
InChIInChI=1S/C9H12N2O3/c1-10-7(12)4-5-11(9(10)13)8-3-2-6-14-8/h4-5,8H,2-3,6H2,1H3
InChIKeyUIPAFSYKUXWSKY-UHFFFAOYSA-N
XLogP-0.14
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione (CID 551223) is 3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione is Cn1c(=O)ccn(C2CCCO2)c1=O.
What is the InChIKey of 3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is UIPAFSYKUXWSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-10-7(12)4-5-11(9(10)13)8-3-2-6-14-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione?
3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 551223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).