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

C11H11N3O3S — CID 137286195

IUPAC2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11N3O3S/c1-7-9(10(15)14-11(12)13-7)18(16,17)8-5-3-2-4-6-8/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyQOPWHXVGIDFMHL-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.49
Rot. Bonds2

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

2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 137286195) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID137286195
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N)[nH]c(=O)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H11N3O3S/c1-7-9(10(15)14-11(12)13-7)18(16,17)8-5-3-2-4-6-8/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyQOPWHXVGIDFMHL-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 2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one (CID 137286195) is 2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(N)[nH]c(=O)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QOPWHXVGIDFMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-7-9(10(15)14-11(12)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 2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one?
2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-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 2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137286195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).