5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione

C15H18N2O3S — CID 10828479

IUPAC5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione
SMILESCCc1c(SC)n(OCCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3S/c1-3-12-13(18)16-15(19)17(14(12)21-2)20-10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,16,18,19)
InChIKeyAXHNQMLENJCQSL-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.49
Rot. Bonds6

About 5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione

5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione (PubChem CID 10828479) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione
PubChem CID10828479
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione
SMILESCCc1c(SC)n(OCCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3S/c1-3-12-13(18)16-15(19)17(14(12)21-2)20-10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,16,18,19)
InChIKeyAXHNQMLENJCQSL-UHFFFAOYSA-N
XLogP1.49
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione (CID 10828479) is 5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione is CCc1c(SC)n(OCCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione?
The InChIKey is AXHNQMLENJCQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-12-13(18)16-15(19)17(14(12)21-2)20-10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,16,18,19).
What are the key properties of 5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione?
5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione has a molecular weight of 306.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methylsulfanyl-1-(2-phenylethoxy)pyrimidine-2,4-dione is sourced from PubChem (CID 10828479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).