6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione

C15H18N2O3S — CID 115948298

IUPAC6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
SMILESCSCCCn1c(O)c(-c2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3S/c1-10-5-3-6-11(9-10)12-13(18)16-15(20)17(14(12)19)7-4-8-21-2/h3,5-6,9,19H,4,7-8H2,1-2H3,(H,16,18,20)
InChIKeyGHUKWCRPWYGYQP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.97
Rot. Bonds5

About 6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione

6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione (PubChem CID 115948298) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
PubChem CID115948298
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione
SMILESCSCCCn1c(O)c(-c2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N2O3S/c1-10-5-3-6-11(9-10)12-13(18)16-15(20)17(14(12)19)7-4-8-21-2/h3,5-6,9,19H,4,7-8H2,1-2H3,(H,16,18,20)
InChIKeyGHUKWCRPWYGYQP-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 115946137
5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 115946665
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
1-cyclopropyl-6-hydroxy-5-(3-methylphenyl)pyrimidine-2,4-dione
CID 112598408
5-(3-chlorophenyl)-1-(2,2-dimethylpropyl)-6-hydroxypyrimidine-2,4-dione
CID 115947031
6-hydroxy-5-(3-methylphenyl)-1-pentan-2-ylpyrimidine-2,4-dione
CID 115946369
6-hydroxy-1-(2-methyl-3-methylsulfanylpropyl)-5-phenylpyrimidine-2,4-dione
CID 115948240
1-but-3-ynyl-5-(3-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 115948238
3-[5-(3-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946839
5-(3-bromophenyl)-6-hydroxy-1-(3-methylbut-2-enyl)pyrimidine-2,4-dione
CID 106185818
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
5-(3-fluorophenyl)-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
CID 112599485

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione (CID 115948298) is 6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione is CSCCCn1c(O)c(-c2cccc(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione?
The InChIKey is GHUKWCRPWYGYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-5-3-6-11(9-10)12-13(18)16-15(20)17(14(12)19)7-4-8-21-2/h3,5-6,9,19H,4,7-8H2,1-2H3,(H,16,18,20).
What are the key properties of 6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione?
6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione has a molecular weight of 306.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-(3-methylphenyl)-1-(3-methylsulfanylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115948298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).