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

C13H17N3O3S — CID 106040512

IUPAC6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(O)n(CCc2csc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C13H17N3O3S/c1-3-4-10-11(17)15-13(19)16(12(10)18)6-5-9-7-20-8(2)14-9/h7,18H,3-6H2,1-2H3,(H,15,17,19)
InChIKeyKMJYGTDYVHVIRF-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.20
Rot. Bonds5

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

6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione (PubChem CID 106040512) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione
PubChem CID106040512
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione
SMILESCCCc1c(O)n(CCc2csc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C13H17N3O3S/c1-3-4-10-11(17)15-13(19)16(12(10)18)6-5-9-7-20-8(2)14-9/h7,18H,3-6H2,1-2H3,(H,15,17,19)
InChIKeyKMJYGTDYVHVIRF-UHFFFAOYSA-N
XLogP1.20
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106946
6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propylpyrimidine-2,4-dione
CID 106377409
6-hydroxy-1-[(4-methyl-3-pyridinyl)methyl]-5-propylpyrimidine-2,4-dione
CID 114958046
8-(2-methyl-1,3-thiazol-4-yl)-3-propyl-7H-purine-2,6-dione
CID 115925487
5,6-dimethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 106036394
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414
3-(6-hydroxy-2,4-dioxo-5-propylpyrimidin-1-yl)-2,2-dimethylpropanamide
CID 106276852
1-ethyl-3-methyl-6-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
CID 106034360
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
2,4-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxopyridine-3-carboxylic acid
CID 106039105
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045871

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione (CID 106040512) is 6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione is CCCc1c(O)n(CCc2csc(C)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione?
The InChIKey is KMJYGTDYVHVIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-4-10-11(17)15-13(19)16(12(10)18)6-5-9-7-20-8(2)14-9/h7,18H,3-6H2,1-2H3,(H,15,17,19).
What are the key properties of 6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione?
6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione has a molecular weight of 295.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 106040512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).