6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione

C11H18N2O2S — CID 21154924

IUPAC6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C(C)SCC(C)C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O2S/c1-7(2)6-16-9(4)13-10(14)5-8(3)12-11(13)15/h5,7,9H,6H2,1-4H3,(H,12,15)
InChIKeyZBWJSFYDNLWCPL-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.75
Rot. Bonds4

About 6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione

6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 21154924) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID21154924
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C(C)SCC(C)C)c(=O)[nH]1
InChIInChI=1S/C11H18N2O2S/c1-7(2)6-16-9(4)13-10(14)5-8(3)12-11(13)15/h5,7,9H,6H2,1-4H3,(H,12,15)
InChIKeyZBWJSFYDNLWCPL-UHFFFAOYSA-N
XLogP1.75
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione (CID 21154924) is 6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(C(C)SCC(C)C)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ZBWJSFYDNLWCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)6-16-9(4)13-10(14)5-8(3)12-11(13)15/h5,7,9H,6H2,1-4H3,(H,12,15).
What are the key properties of 6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione?
6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 242.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-(2-methylpropylsulfanyl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 21154924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).