5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione

C13H14N2O2S — CID 13008553

IUPAC5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Sc2cccc(C)c2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O2S/c1-3-10-11(16)14-13(17)15-12(10)18-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyFABLARVZQWGFED-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.09
Rot. Bonds3

About 5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione

5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione (PubChem CID 13008553) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione
PubChem CID13008553
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(Sc2cccc(C)c2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O2S/c1-3-10-11(16)14-13(17)15-12(10)18-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyFABLARVZQWGFED-UHFFFAOYSA-N
XLogP2.09
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione (CID 13008553) is 5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione is CCc1c(Sc2cccc(C)c2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione?
The InChIKey is FABLARVZQWGFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-10-11(16)14-13(17)15-12(10)18-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione?
5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione has a molecular weight of 262.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(3-methylphenyl)sulfanyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 13008553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).