6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione

C14H11N3O3S — CID 115947290

IUPAC6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2nccs2)c(O)c1-c1ccccc1
InChIInChI=1S/C14H11N3O3S/c18-12-11(9-4-2-1-3-5-9)13(19)17(14(20)16-12)8-10-15-6-7-21-10/h1-7,19H,8H2,(H,16,18,20)
InChIKeyYPNOELUXLWRWPP-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.41
Rot. Bonds3

About 6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione

6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 115947290) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID115947290
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2nccs2)c(O)c1-c1ccccc1
InChIInChI=1S/C14H11N3O3S/c18-12-11(9-4-2-1-3-5-9)13(19)17(14(20)16-12)8-10-15-6-7-21-10/h1-7,19H,8H2,(H,16,18,20)
InChIKeyYPNOELUXLWRWPP-UHFFFAOYSA-N
XLogP1.41
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115946756
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
CID 115948240
6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione
CID 115947976
7-hydroxy-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135718547
1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947840
5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
CID 112599485
6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
CID 115945962
5-(4-chlorophenyl)-1-(cyclopropylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 115946019
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947359

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione (CID 115947290) is 6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2nccs2)c(O)c1-c1ccccc1.
What is the InChIKey of 6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is YPNOELUXLWRWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-12-11(9-4-2-1-3-5-9)13(19)17(14(20)16-12)8-10-15-6-7-21-10/h1-7,19H,8H2,(H,16,18,20).
What are the key properties of 6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione?
6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 301.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115947290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).