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

C11H13N3O3S — CID 112599776

IUPAC1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCCc1nc(-n2c(O)c(C)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C11H13N3O3S/c1-4-7-6(3)18-11(12-7)14-9(16)5(2)8(15)13-10(14)17/h16H,4H2,1-3H3,(H,13,15,17)
InChIKeyWVWWLNMVUPNCEL-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.87
Rot. Bonds2

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

1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112599776) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112599776
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCCc1nc(-n2c(O)c(C)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C11H13N3O3S/c1-4-7-6(3)18-11(12-7)14-9(16)5(2)8(15)13-10(14)17/h16H,4H2,1-3H3,(H,13,15,17)
InChIKeyWVWWLNMVUPNCEL-UHFFFAOYSA-N
XLogP0.87
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 104371671
1-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599774
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600131
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600252
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propanamide
CID 60773966
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 47244117
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 61474404
4-[(4-Ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992035
4-[(4-Ethyl-5-methyl-1,3-thiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992577
1-(4-Ethyl-5-methyl-1,3-thiazol-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79875756
5-acetyl-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 80643494
6-chloro-3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrimidine-2,4-dione
CID 104371672

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112599776) is 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione is CCc1nc(-n2c(O)c(C)c(=O)[nH]c2=O)sc1C.
What is the InChIKey of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is WVWWLNMVUPNCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-4-7-6(3)18-11(12-7)14-9(16)5(2)8(15)13-10(14)17/h16H,4H2,1-3H3,(H,13,15,17).
What are the key properties of 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 267.31 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112599776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).