4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one

C11H10N2O4S — CID 103241348

IUPAC4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)c1cccc(Oc2cc(=O)[nH]cn2)c1
InChIInChI=1S/C11H10N2O4S/c1-18(15,16)9-4-2-3-8(5-9)17-11-6-10(14)12-7-13-11/h2-7H,1H3,(H,12,13,14)
InChIKeyLEOVMOLELGWQLM-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.97
Rot. Bonds3

About 4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one

4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103241348) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one
PubChem CID103241348
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)c1cccc(Oc2cc(=O)[nH]cn2)c1
InChIInChI=1S/C11H10N2O4S/c1-18(15,16)9-4-2-3-8(5-9)17-11-6-10(14)12-7-13-11/h2-7H,1H3,(H,12,13,14)
InChIKeyLEOVMOLELGWQLM-UHFFFAOYSA-N
XLogP0.97
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 478070
CID 478070
CID 68240468
CID 68240468
CID 11096993
CID 11096993
CID 47218206
CID 47218206
CID 71795176
CID 71795176
CID 103241343
CID 103241343
CID 103241344
CID 103241344
CID 103241345
CID 103241345
CID 103241346
CID 103241346
CID 103241347
CID 103241347
CID 103241349
CID 103241349
CID 103241352
CID 103241352

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one (CID 103241348) is 4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one is CS(=O)(=O)c1cccc(Oc2cc(=O)[nH]cn2)c1.
What is the InChIKey of 4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is LEOVMOLELGWQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-18(15,16)9-4-2-3-8(5-9)17-11-6-10(14)12-7-13-11/h2-7H,1H3,(H,12,13,14).
What are the key properties of 4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one?
4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 266.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).