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

C8H8N4O3 — CID 63810767

IUPAC1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2ncon2)c1=O
InChIInChI=1S/C8H8N4O3/c1-11-3-2-7(13)12(8(11)14)4-6-9-5-15-10-6/h2-3,5H,4H2,1H3
InChIKeyOZGPSKFGXXDXNJ-UHFFFAOYSA-N
MW208.18 g/mol
LogP-1.02
Rot. Bonds2

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

1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63810767) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID63810767
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESCn1ccc(=O)n(Cc2ncon2)c1=O
InChIInChI=1S/C8H8N4O3/c1-11-3-2-7(13)12(8(11)14)4-6-9-5-15-10-6/h2-3,5H,4H2,1H3
InChIKeyOZGPSKFGXXDXNJ-UHFFFAOYSA-N
XLogP-1.02
TPSA82.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (CID 63810767) is 1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is Cn1ccc(=O)n(Cc2ncon2)c1=O.
What is the InChIKey of 1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is OZGPSKFGXXDXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-11-3-2-7(13)12(8(11)14)4-6-9-5-15-10-6/h2-3,5H,4H2,1H3.
What are the key properties of 1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 208.18 g/mol, XLogP of -1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63810767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).