5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione

C10H9N3O2S — CID 1484150

IUPAC5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione
SMILESNc1ccccc1Sc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H9N3O2S/c11-6-3-1-2-4-7(6)16-8-5-12-10(15)13-9(8)14/h1-5H,11H2,(H2,12,13,14,15)
InChIKeyLDHMELXHLAXAAA-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.80
Rot. Bonds2

About 5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione

5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione (PubChem CID 1484150) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione
PubChem CID1484150
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione
SMILESNc1ccccc1Sc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H9N3O2S/c11-6-3-1-2-4-7(6)16-8-5-12-10(15)13-9(8)14/h1-5H,11H2,(H2,12,13,14,15)
InChIKeyLDHMELXHLAXAAA-UHFFFAOYSA-N
XLogP0.80
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione (CID 1484150) is 5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione is Nc1ccccc1Sc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The InChIKey is LDHMELXHLAXAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c11-6-3-1-2-4-7(6)16-8-5-12-10(15)13-9(8)14/h1-5H,11H2,(H2,12,13,14,15).
What are the key properties of 5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione?
5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione has a molecular weight of 235.27 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)sulfanyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1484150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).