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

C14H18N2O3S — CID 115948535

IUPAC5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)Cc2ccc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N2O3S/c1-4-11-12(17)15-14(19)16(13(11)18)8(2)7-10-6-5-9(3)20-10/h5-6,8,18H,4,7H2,1-3H3,(H,15,17,19)
InChIKeyJRVDNPASSSJWPS-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.98
Rot. Bonds4

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

5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione (PubChem CID 115948535) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione
PubChem CID115948535
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)Cc2ccc(C)s2)c(=O)[nH]c1=O
InChIInChI=1S/C14H18N2O3S/c1-4-11-12(17)15-14(19)16(13(11)18)8(2)7-10-6-5-9(3)20-10/h5-6,8,18H,4,7H2,1-3H3,(H,15,17,19)
InChIKeyJRVDNPASSSJWPS-UHFFFAOYSA-N
XLogP1.98
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-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-[1-(5-methylthiophen-2-yl)propan-2-yl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79873550
5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione
CID 112600250
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione
CID 115947730
2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599391
1-(1-cyclopropylethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599311
1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947480
1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112599751
1-(2-bromo-4-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598976
methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
CID 115947446
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione (CID 115948535) is 5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione is CCc1c(O)n(C(C)Cc2ccc(C)s2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione?
The InChIKey is JRVDNPASSSJWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-4-11-12(17)15-14(19)16(13(11)18)8(2)7-10-6-5-9(3)20-10/h5-6,8,18H,4,7H2,1-3H3,(H,15,17,19).
What are the key properties of 5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione has a molecular weight of 294.38 g/mol, XLogP of 1.98, 4 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-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 115948535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).