5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one

C10H10N2O2S — CID 136769316

IUPAC5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCOc1c(-c2csc(C)c2)nc[nH]c1=O
InChIInChI=1S/C10H10N2O2S/c1-6-3-7(4-15-6)8-9(14-2)10(13)12-5-11-8/h3-5H,1-2H3,(H,11,12,13)
InChIKeyUXHCOYRGRYGDBM-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.82
Rot. Bonds2

About 5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one

5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one (PubChem CID 136769316) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
PubChem CID136769316
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCOc1c(-c2csc(C)c2)nc[nH]c1=O
InChIInChI=1S/C10H10N2O2S/c1-6-3-7(4-15-6)8-9(14-2)10(13)12-5-11-8/h3-5H,1-2H3,(H,11,12,13)
InChIKeyUXHCOYRGRYGDBM-UHFFFAOYSA-N
XLogP1.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one (CID 136769316) is 5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one is COc1c(-c2csc(C)c2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The InChIKey is UXHCOYRGRYGDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-6-3-7(4-15-6)8-9(14-2)10(13)12-5-11-8/h3-5H,1-2H3,(H,11,12,13).
What are the key properties of 5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one?
5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one has a molecular weight of 222.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).