6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione

C15H18N2O3S — CID 115948240

IUPAC6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
SMILESCSCC(C)Cn1c(O)c(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3S/c1-10(9-21-2)8-17-14(19)12(13(18)16-15(17)20)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,16,18,20)
InChIKeyLQQFOOADXFEYPX-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.91
Rot. Bonds5

About 6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione

6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione (PubChem CID 115948240) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
PubChem CID115948240
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
SMILESCSCC(C)Cn1c(O)c(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3S/c1-10(9-21-2)8-17-14(19)12(13(18)16-15(17)20)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,16,18,20)
InChIKeyLQQFOOADXFEYPX-UHFFFAOYSA-N
XLogP1.91
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
CID 115945962
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
1-(cyclopentylmethyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115946756
5-(3-bromophenyl)-6-hydroxy-1-(2-methoxypropyl)pyrimidine-2,4-dione
CID 102702118
6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
CID 115948298
6-hydroxy-5-phenyl-1-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-dione
CID 115947290
1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947840
6-hydroxy-1-(oxolan-3-ylmethyl)-5-phenylpyrimidine-2,4-dione
CID 115947976
1-(2,2-dimethylcyclopropyl)-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947359
6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946162

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione (CID 115948240) is 6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione is CSCC(C)Cn1c(O)c(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione?
The InChIKey is LQQFOOADXFEYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10(9-21-2)8-17-14(19)12(13(18)16-15(17)20)11-6-4-3-5-7-11/h3-7,10,19H,8-9H2,1-2H3,(H,16,18,20).
What are the key properties of 6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione?
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione has a molecular weight of 306.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 115948240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).