1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

C11H16N2O3S2 — CID 113489671

IUPAC1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CC2CSCCS2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3S2/c1-2-8-9(14)12-11(16)13(10(8)15)5-7-6-17-3-4-18-7/h7,15H,2-6H2,1H3,(H,12,14,16)
InChIKeyBGYVHIHUSFZQJS-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.65
Rot. Bonds3

About 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 113489671) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID113489671
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CC2CSCCS2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O3S2/c1-2-8-9(14)12-11(16)13(10(8)15)5-7-6-17-3-4-18-7/h7,15H,2-6H2,1H3,(H,12,14,16)
InChIKeyBGYVHIHUSFZQJS-UHFFFAOYSA-N
XLogP0.65
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
5-ethyl-6-hydroxy-1-[(2-methylthiolan-2-yl)methyl]pyrimidine-2,4-dione
CID 112601402
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-(3-cyclopentylpropyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106006233
2-(1,4-dithian-2-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 79972985
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 112600745
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
N-cyclopropyl-4-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)butanamide
CID 115948702

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 113489671) is 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(CC2CSCCS2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is BGYVHIHUSFZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-2-8-9(14)12-11(16)13(10(8)15)5-7-6-17-3-4-18-7/h7,15H,2-6H2,1H3,(H,12,14,16).
What are the key properties of 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 288.39 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 113489671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).