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

C10H9N3O3S — CID 159542968

IUPAC2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one
SMILESNc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O3S/c11-10-12-6-8(9(14)13-10)17(15,16)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyMELGWSDBNIUFLG-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.18
Rot. Bonds2

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

2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one (PubChem CID 159542968) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one
PubChem CID159542968
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one
SMILESNc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H9N3O3S/c11-10-12-6-8(9(14)13-10)17(15,16)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14)
InChIKeyMELGWSDBNIUFLG-UHFFFAOYSA-N
XLogP0.18
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.18
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)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one (CID 159542968) is 2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one is Nc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one?
The InChIKey is MELGWSDBNIUFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c11-10-12-6-8(9(14)13-10)17(15,16)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14).
What are the key properties of 2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one?
2-amino-5-(benzenesulfonyl)-1H-pyrimidin-6-one has a molecular weight of 251.27 g/mol, XLogP of 0.18, 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)-1H-pyrimidin-6-one is sourced from PubChem (CID 159542968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).