1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione

C9H10N4O3 — CID 63811869

IUPAC1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2ncon2)c1=O
InChIInChI=1S/C9H10N4O3/c1-2-12-4-3-8(14)13(9(12)15)5-7-10-6-16-11-7/h3-4,6H,2,5H2,1H3
InChIKeyCPWYLSGANULBEJ-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.54
Rot. Bonds3

About 1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione

1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63811869) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID63811869
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(Cc2ncon2)c1=O
InChIInChI=1S/C9H10N4O3/c1-2-12-4-3-8(14)13(9(12)15)5-7-10-6-16-11-7/h3-4,6H,2,5H2,1H3
InChIKeyCPWYLSGANULBEJ-UHFFFAOYSA-N
XLogP-0.54
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (CID 63811869) is 1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is CCn1ccc(=O)n(Cc2ncon2)c1=O.
What is the InChIKey of 1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is CPWYLSGANULBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-2-12-4-3-8(14)13(9(12)15)5-7-10-6-16-11-7/h3-4,6H,2,5H2,1H3.
What are the key properties of 1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 222.20 g/mol, XLogP of -0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63811869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).