5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione

C11H10N2O2S — CID 53222312

IUPAC5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione
SMILESCSc1ccccc1-c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H10N2O2S/c1-16-9-5-3-2-4-7(9)8-6-12-11(15)13-10(8)14/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyHGWKFFRCVQZPEX-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.45
Rot. Bonds2

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

5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 53222312) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID53222312
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione
SMILESCSc1ccccc1-c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H10N2O2S/c1-16-9-5-3-2-4-7(9)8-6-12-11(15)13-10(8)14/h2-6H,1H3,(H2,12,13,14,15)
InChIKeyHGWKFFRCVQZPEX-UHFFFAOYSA-N
XLogP1.45
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione (CID 53222312) is 5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione is CSc1ccccc1-c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HGWKFFRCVQZPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-16-9-5-3-2-4-7(9)8-6-12-11(15)13-10(8)14/h2-6H,1H3,(H2,12,13,14,15).
What are the key properties of 5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione?
5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 234.28 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 53222312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).