5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione

C12H18N2O3S — CID 112601402

IUPAC5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(CC2(C)CCCS2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O3S/c1-3-8-9(15)13-11(17)14(10(8)16)7-12(2)5-4-6-18-12/h16H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyHUQAFNKEBYKKMI-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.09
Rot. Bonds3

About 5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione (PubChem CID 112601402) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione
PubChem CID112601402
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(CC2(C)CCCS2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O3S/c1-3-8-9(15)13-11(17)14(10(8)16)7-12(2)5-4-6-18-12/h16H,3-7H2,1-2H3,(H,13,15,17)
InChIKeyHUQAFNKEBYKKMI-UHFFFAOYSA-N
XLogP1.09
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601046
6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione
CID 114102672
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
1-[(2-methylthiolan-2-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 80730632
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 113489671
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
5-ethyl-6-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrimidine-2,4-dione
CID 112600120
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione (CID 112601402) is 5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione is CCc1c(O)n(CC2(C)CCCS2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is HUQAFNKEBYKKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-8-9(15)13-11(17)14(10(8)16)7-12(2)5-4-6-18-12/h16H,3-7H2,1-2H3,(H,13,15,17).
What are the key properties of 5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 270.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112601402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).