6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione

C19H17ClN2O2S — CID 66573195

IUPAC6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1ccc(C)c(Cn2c(Sc3cccc(Cl)c3)cc(=O)[nH]c2=O)c1
InChIInChI=1S/C19H17ClN2O2S/c1-12-6-7-13(2)14(8-12)11-22-18(10-17(23)21-19(22)24)25-16-5-3-4-15(20)9-16/h3-10H,11H2,1-2H3,(H,21,23,24)
InChIKeyPWAKKEPZIWJVBA-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.01
Rot. Bonds4

About 6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione

6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 66573195) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID66573195
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1ccc(C)c(Cn2c(Sc3cccc(Cl)c3)cc(=O)[nH]c2=O)c1
InChIInChI=1S/C19H17ClN2O2S/c1-12-6-7-13(2)14(8-12)11-22-18(10-17(23)21-19(22)24)25-16-5-3-4-15(20)9-16/h3-10H,11H2,1-2H3,(H,21,23,24)
InChIKeyPWAKKEPZIWJVBA-UHFFFAOYSA-N
XLogP4.01
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione (CID 66573195) is 6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione is Cc1ccc(C)c(Cn2c(Sc3cccc(Cl)c3)cc(=O)[nH]c2=O)c1.
What is the InChIKey of 6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is PWAKKEPZIWJVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-6-7-13(2)14(8-12)11-22-18(10-17(23)21-19(22)24)25-16-5-3-4-15(20)9-16/h3-10H,11H2,1-2H3,(H,21,23,24).
What are the key properties of 6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 372.88 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)sulfanyl-1-[(2,5-dimethylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66573195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).