1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione

C9H12N2O4S — CID 71331319

IUPAC1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione
SMILESC=CS(=O)(=O)CCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4S/c1-3-16(14,15)5-4-11-6-7(2)8(12)10-9(11)13/h3,6H,1,4-5H2,2H3,(H,10,12,13)
InChIKeyPFAYYYCAQPIFTR-UHFFFAOYSA-N
MW244.27 g/mol
LogP-0.60
Rot. Bonds4

About 1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione

1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 71331319) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione
PubChem CID71331319
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione
SMILESC=CS(=O)(=O)CCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4S/c1-3-16(14,15)5-4-11-6-7(2)8(12)10-9(11)13/h3,6H,1,4-5H2,2H3,(H,10,12,13)
InChIKeyPFAYYYCAQPIFTR-UHFFFAOYSA-N
XLogP-0.60
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
5-methyl-1-undec-10-enylpyrimidine-2,4-dione
CID 102262411
5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
1-[(E)-but-2-enyl]-5-methylpyrimidine-2,4-dione
CID 65438358
2-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]isoindole-1,3-dione
CID 11109334
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
5-methyl-1-[4-(2-methylprop-2-enoxy)butyl]pyrimidine-2,4-dione
CID 118938736
5-methyl-1-[(3-methylimidazol-4-yl)methyl]pyrimidine-2,4-dione
CID 66142173
2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethylsulfanyl acetate
CID 151243454
1-[3-(1-hydroxycyclopropyl)propyl]-5-methylpyrimidine-2,4-dione
CID 10585230
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione
CID 60734792

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione (CID 71331319) is 1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione is C=CS(=O)(=O)CCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is PFAYYYCAQPIFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-3-16(14,15)5-4-11-6-7(2)8(12)10-9(11)13/h3,6H,1,4-5H2,2H3,(H,10,12,13).
What are the key properties of 1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione?
1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 244.27 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylsulfonylethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 71331319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).