2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone

C20H17ClN2O2S — CID 1105375

IUPAC2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone
SMILESCc1cc(OCC(=O)c2ccccc2)nc(SCc2ccccc2Cl)n1
InChIInChI=1S/C20H17ClN2O2S/c1-14-11-19(25-12-18(24)15-7-3-2-4-8-15)23-20(22-14)26-13-16-9-5-6-10-17(16)21/h2-11H,12-13H2,1H3
InChIKeyFQCYZYHUOYUGPC-UHFFFAOYSA-N
MW384.89 g/mol
LogP4.99
Rot. Bonds7

About 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone

2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone (PubChem CID 1105375) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone
PubChem CID1105375
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC Name2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone
SMILESCc1cc(OCC(=O)c2ccccc2)nc(SCc2ccccc2Cl)n1
InChIInChI=1S/C20H17ClN2O2S/c1-14-11-19(25-12-18(24)15-7-3-2-4-8-15)23-20(22-14)26-13-16-9-5-6-10-17(16)21/h2-11H,12-13H2,1H3
InChIKeyFQCYZYHUOYUGPC-UHFFFAOYSA-N
XLogP4.99
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine
CID 46034013
2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxyacetic acid
CID 70198672
1-[4-[6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]pyrimidin-4-yl]oxyphenyl]ethanone
CID 46033752
2-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-1-phenylethanone
CID 865548
1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone
CID 95922805
2-[(3,5-dichloro-2,6-dimethyl-4-pyridinyl)oxy]-1-phenylethanone
CID 134064664
1-[6-methyl-2-(2-oxopropylsulfanyl)pyrimidin-4-yl]oxypropan-2-one
CID 12753455
2-[(2,3-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 107091751
2-[[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]amino]-4-(1,3-thiazol-2-ylamino)benzoic acid
CID 16661997
2-[(2-chlorophenyl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 60678560
2-(2,6-dibromo-4-methylphenoxy)-1-phenylethanone
CID 8914654
[2-[(2,6-dichlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl] furan-2-carboxylate
CID 2730053

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone?
The IUPAC name of 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone (CID 1105375) is 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone is Cc1cc(OCC(=O)c2ccccc2)nc(SCc2ccccc2Cl)n1.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone?
The InChIKey is FQCYZYHUOYUGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-14-11-19(25-12-18(24)15-7-3-2-4-8-15)23-20(22-14)26-13-16-9-5-6-10-17(16)21/h2-11H,12-13H2,1H3.
What are the key properties of 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone?
2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone has a molecular weight of 384.89 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidin-4-yl]oxy-1-phenylethanone is sourced from PubChem (CID 1105375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).