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

C10H16N2O3S — CID 11507020

IUPAC1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCCSCCOCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3S/c1-3-16-5-4-15-7-12-6-8(2)9(13)11-10(12)14/h6H,3-5,7H2,1-2H3,(H,11,13,14)
InChIKeyMSLNJVMSHQDNAC-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.57
Rot. Bonds6

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

1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 11507020) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione
PubChem CID11507020
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione
SMILESCCSCCOCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3S/c1-3-16-5-4-15-7-12-6-8(2)9(13)11-10(12)14/h6H,3-5,7H2,1-2H3,(H,11,13,14)
InChIKeyMSLNJVMSHQDNAC-UHFFFAOYSA-N
XLogP0.57
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1-(2-methylsulfanylethyl)pyrimidine-2,4-dione
CID 20727875
1-[2-[(3,5-dimethylphenyl)methoxy]ethoxymethyl]-5-methylpyrimidine-2,4-dione
CID 4919986
5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione
CID 13076168
1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 10262317
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
CID 71327942
2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethylsulfanyl acetate
CID 151243454
1-[(2R)-2,4-dimethylhexyl]-5-methylpyrimidine-2,4-dione
CID 163296260
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-undec-10-enylpyrimidine-2,4-dione
CID 102262411
1-(5-chloropentyl)-5-methylpyrimidine-2,4-dione
CID 59337581
1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione;2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methoxy]ethyl benzoate
CID 158075626
5-fluoro-1-(2-phenylsulfanylethoxymethyl)pyrimidine-2,4-dione
CID 171988633

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione (CID 11507020) is 1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione is CCSCCOCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is MSLNJVMSHQDNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-16-5-4-15-7-12-6-8(2)9(13)11-10(12)14/h6H,3-5,7H2,1-2H3,(H,11,13,14).
What are the key properties of 1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione?
1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 244.32 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylethoxymethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11507020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).