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

C11H11N3O4S — CID 103241343

IUPAC5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)c1cccc(Oc2nc[nH]c(=O)c2N)c1
InChIInChI=1S/C11H11N3O4S/c1-19(16,17)8-4-2-3-7(5-8)18-11-9(12)10(15)13-6-14-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyVSNZQCKZBIDCOD-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.55
Rot. Bonds3

About 5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one

5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103241343) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is 5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one
PubChem CID103241343
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC Name5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one
SMILESCS(=O)(=O)c1cccc(Oc2nc[nH]c(=O)c2N)c1
InChIInChI=1S/C11H11N3O4S/c1-19(16,17)8-4-2-3-7(5-8)18-11-9(12)10(15)13-6-14-11/h2-6H,12H2,1H3,(H,13,14,15)
InChIKeyVSNZQCKZBIDCOD-UHFFFAOYSA-N
XLogP0.55
TPSA115.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one (CID 103241343) is 5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one is CS(=O)(=O)c1cccc(Oc2nc[nH]c(=O)c2N)c1.
What is the InChIKey of 5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is VSNZQCKZBIDCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c1-19(16,17)8-4-2-3-7(5-8)18-11-9(12)10(15)13-6-14-11/h2-6H,12H2,1H3,(H,13,14,15).
What are the key properties of 5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one?
5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 281.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methylsulfonylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).