1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione

C8H8N4O3 — CID 55240725

IUPAC1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCc1nc(Cn2ccc(=O)[nH]c2=O)no1
InChIInChI=1S/C8H8N4O3/c1-5-9-6(11-15-5)4-12-3-2-7(13)10-8(12)14/h2-3H,4H2,1H3,(H,10,13,14)
InChIKeyQVHXEXDSIBQHKN-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.72
Rot. Bonds2

About 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione

1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 55240725) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID55240725
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCc1nc(Cn2ccc(=O)[nH]c2=O)no1
InChIInChI=1S/C8H8N4O3/c1-5-9-6(11-15-5)4-12-3-2-7(13)10-8(12)14/h2-3H,4H2,1H3,(H,10,13,14)
InChIKeyQVHXEXDSIBQHKN-UHFFFAOYSA-N
XLogP-0.72
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione (CID 55240725) is 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione is Cc1nc(Cn2ccc(=O)[nH]c2=O)no1.
What is the InChIKey of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is QVHXEXDSIBQHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-5-9-6(11-15-5)4-12-3-2-7(13)10-8(12)14/h2-3H,4H2,1H3,(H,10,13,14).
What are the key properties of 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 208.18 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 55240725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).