1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one

C15H14Cl2N2OS — CID 62306346

IUPAC1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one
SMILESCc1cc(C)nc(SC(C)C(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H14Cl2N2OS/c1-8-6-9(2)19-15(18-8)21-10(3)14(20)12-5-4-11(16)7-13(12)17/h4-7,10H,1-3H3
InChIKeyPNEKEVVLDVCFBJ-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.76
Rot. Bonds4

About 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one

1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one (PubChem CID 62306346) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one
PubChem CID62306346
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one
SMILESCc1cc(C)nc(SC(C)C(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H14Cl2N2OS/c1-8-6-9(2)19-15(18-8)21-10(3)14(20)12-5-4-11(16)7-13(12)17/h4-7,10H,1-3H3
InChIKeyPNEKEVVLDVCFBJ-UHFFFAOYSA-N
XLogP4.76
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(2,4-dichlorophenyl)propan-1-one
CID 43801689
(2R)-N-(4-chlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 975208
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417259
3-(2,4-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 116918261
ethyl 2-[1-(2,4-dichlorophenyl)-1-oxopropan-2-yl]sulfanylacetate
CID 43801775
(2R)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,5-dimethylphenyl)propan-1-one
CID 30834816
1-(2,4-dichlorophenyl)-2-hydroxy-3-methylbutan-1-one
CID 130517010
(2R)-1-(4-chlorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 8535342
(2S)-2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
CID 40663409
1-(2,4-dichlorophenyl)-2,4,4-trihydroxybutan-1-one
CID 141279955
(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417263
1-(2,4-dichlorophenyl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 60871958

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one (CID 62306346) is 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one is Cc1cc(C)nc(SC(C)C(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one?
The InChIKey is PNEKEVVLDVCFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c1-8-6-9(2)19-15(18-8)21-10(3)14(20)12-5-4-11(16)7-13(12)17/h4-7,10H,1-3H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one?
1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one has a molecular weight of 341.26 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-one is sourced from PubChem (CID 62306346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).