2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one

C11H12N2O2S — CID 79375845

IUPAC2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1ccsc1
InChIInChI=1S/C11H12N2O2S/c1-8-5-10(14)13(11(12-8)15-2)6-9-3-4-16-7-9/h3-5,7H,6H2,1-2H3
InChIKeyHWLDMQIIEOQTFO-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.67
Rot. Bonds3

About 2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one

2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one (PubChem CID 79375845) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one
PubChem CID79375845
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1ccsc1
InChIInChI=1S/C11H12N2O2S/c1-8-5-10(14)13(11(12-8)15-2)6-9-3-4-16-7-9/h3-5,7H,6H2,1-2H3
InChIKeyHWLDMQIIEOQTFO-UHFFFAOYSA-N
XLogP1.67
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one (CID 79375845) is 2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one is COc1nc(C)cc(=O)n1Cc1ccsc1.
What is the InChIKey of 2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one?
The InChIKey is HWLDMQIIEOQTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-8-5-10(14)13(11(12-8)15-2)6-9-3-4-16-7-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one?
2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-(thiophen-3-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 79375845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).