5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one

C14H15ClN2OS — CID 135617941

IUPAC5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCCSc1nc(C)c(Cc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C14H15ClN2OS/c1-3-19-14-16-9(2)11(13(18)17-14)8-10-6-4-5-7-12(10)15/h4-7H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyPOFULLOSLCYFRU-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.43
Rot. Bonds4

About 5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one

5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 135617941) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID135617941
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
SMILESCCSc1nc(C)c(Cc2ccccc2Cl)c(=O)[nH]1
InChIInChI=1S/C14H15ClN2OS/c1-3-19-14-16-9(2)11(13(18)17-14)8-10-6-4-5-7-12(10)15/h4-7H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyPOFULLOSLCYFRU-UHFFFAOYSA-N
XLogP3.43
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135561969
5-[(2-chlorophenyl)methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135475132
N-(4-acetylphenyl)-2-[[5-[(2-chlorophenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135413713
5-(2-chloroethyl)-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
CID 171987108
5-benzyl-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135422583
N-[(2-chlorophenyl)methyl]-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135561888
5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135727198
2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135456870
5-[(2-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135762505
5-benzyl-4-methyl-2-(2-phenoxyethylsulfanyl)-1H-pyrimidin-6-one
CID 135413886
ethyl 2-[(5-benzyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoate
CID 136687859
N-(2,6-dichlorophenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135713711

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one (CID 135617941) is 5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one is CCSc1nc(C)c(Cc2ccccc2Cl)c(=O)[nH]1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is POFULLOSLCYFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-3-19-14-16-9(2)11(13(18)17-14)8-10-6-4-5-7-12(10)15/h4-7H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one?
5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 294.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135617941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).