2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one

C9H10N4O3 — CID 79375933

IUPAC2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1ncon1
InChIInChI=1S/C9H10N4O3/c1-6-3-8(14)13(9(11-6)15-2)4-7-10-5-16-12-7/h3,5H,4H2,1-2H3
InChIKeyDOOLERXGADQDNI-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.01
Rot. Bonds3

About 2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one

2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one (PubChem CID 79375933) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one
PubChem CID79375933
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1ncon1
InChIInChI=1S/C9H10N4O3/c1-6-3-8(14)13(9(11-6)15-2)4-7-10-5-16-12-7/h3,5H,4H2,1-2H3
InChIKeyDOOLERXGADQDNI-UHFFFAOYSA-N
XLogP-0.01
TPSA83.04 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 ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one (CID 79375933) is 2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one is COc1nc(C)cc(=O)n1Cc1ncon1.
What is the InChIKey of 2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one?
The InChIKey is DOOLERXGADQDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-6-3-8(14)13(9(11-6)15-2)4-7-10-5-16-12-7/h3,5H,4H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one?
2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one has a molecular weight of 222.20 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 79375933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).