5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione

C11H13N3O3S — CID 112600745

IUPAC5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(Cc2scnc2C)c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O3S/c1-3-7-9(15)13-11(17)14(10(7)16)4-8-6(2)12-5-18-8/h5,16H,3-4H2,1-2H3,(H,13,15,17)
InChIKeyZEOACZXZDITGLA-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.62
Rot. Bonds3

About 5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 112600745) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID112600745
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCCc1c(O)n(Cc2scnc2C)c(=O)[nH]c1=O
InChIInChI=1S/C11H13N3O3S/c1-3-7-9(15)13-11(17)14(10(7)16)4-8-6(2)12-5-18-8/h5,16H,3-4H2,1-2H3,(H,13,15,17)
InChIKeyZEOACZXZDITGLA-UHFFFAOYSA-N
XLogP0.62
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875603
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541484
1-[(2-bromophenyl)methyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112600325
3-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931656
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
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
1-(1,4-dithian-2-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 113489671
5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106946
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione
CID 106040512
6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione
CID 114958046

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione (CID 112600745) is 5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione is CCc1c(O)n(Cc2scnc2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is ZEOACZXZDITGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-3-7-9(15)13-11(17)14(10(7)16)4-8-6(2)12-5-18-8/h5,16H,3-4H2,1-2H3,(H,13,15,17).
What are the key properties of 5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 267.31 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112600745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).