4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one

C8H8N4O2 — CID 130485298

IUPAC4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one
SMILESCc1ccn(Cc2ncon2)c(=O)n1
InChIInChI=1S/C8H8N4O2/c1-6-2-3-12(8(13)10-6)4-7-9-5-14-11-7/h2-3,5H,4H2,1H3
InChIKeyCYWWOOGCUPUACQ-UHFFFAOYSA-N
MW192.18 g/mol
LogP-0.02
Rot. Bonds2

About 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one

4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one (PubChem CID 130485298) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one
PubChem CID130485298
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one
SMILESCc1ccn(Cc2ncon2)c(=O)n1
InChIInChI=1S/C8H8N4O2/c1-6-2-3-12(8(13)10-6)4-7-9-5-14-11-7/h2-3,5H,4H2,1H3
InChIKeyCYWWOOGCUPUACQ-UHFFFAOYSA-N
XLogP-0.02
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one?
The IUPAC name of 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one (CID 130485298) is 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one is Cc1ccn(Cc2ncon2)c(=O)n1.
What is the InChIKey of 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one?
The InChIKey is CYWWOOGCUPUACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-6-2-3-12(8(13)10-6)4-7-9-5-14-11-7/h2-3,5H,4H2,1H3.
What are the key properties of 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one?
4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one has a molecular weight of 192.18 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-2-one is sourced from PubChem (CID 130485298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).