4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one

C11H11N3O3S — CID 13413410

IUPAC4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)nc(N)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11N3O3S/c1-7-9(10(12)14-11(15)13-7)18(16,17)8-5-3-2-4-6-8/h2-6H,1H3,(H3,12,13,14,15)
InChIKeySDURCKWZIUSUEM-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.49
Rot. Bonds2

About 4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one

4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one (PubChem CID 13413410) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one
PubChem CID13413410
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)nc(N)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11N3O3S/c1-7-9(10(12)14-11(15)13-7)18(16,17)8-5-3-2-4-6-8/h2-6H,1H3,(H3,12,13,14,15)
InChIKeySDURCKWZIUSUEM-UHFFFAOYSA-N
XLogP0.49
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one (CID 13413410) is 4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one is Cc1[nH]c(=O)nc(N)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one?
The InChIKey is SDURCKWZIUSUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-7-9(10(12)14-11(15)13-7)18(16,17)8-5-3-2-4-6-8/h2-6H,1H3,(H3,12,13,14,15).
What are the key properties of 4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one?
4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one has a molecular weight of 265.29 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(benzenesulfonyl)-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 13413410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).