4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine

C22H24N2OS — CID 42846053

IUPAC4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine
SMILESCCc1cc(Oc2ccc(C)c(C)c2)nc(SCc2ccccc2C)n1
InChIInChI=1S/C22H24N2OS/c1-5-19-13-21(25-20-11-10-15(2)17(4)12-20)24-22(23-19)26-14-18-9-7-6-8-16(18)3/h6-13H,5,14H2,1-4H3
InChIKeySXASJQPSZBCMKX-UHFFFAOYSA-N
MW364.51 g/mol
LogP6.05
Rot. Bonds6

About 4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine

4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine (PubChem CID 42846053) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine
PubChem CID42846053
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine
SMILESCCc1cc(Oc2ccc(C)c(C)c2)nc(SCc2ccccc2C)n1
InChIInChI=1S/C22H24N2OS/c1-5-19-13-21(25-20-11-10-15(2)17(4)12-20)24-22(23-19)26-14-18-9-7-6-8-16(18)3/h6-13H,5,14H2,1-4H3
InChIKeySXASJQPSZBCMKX-UHFFFAOYSA-N
XLogP6.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenoxy)-2-[(2-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033837
2-[(3,5-difluorophenyl)methylsulfanyl]-4-(3,4-dimethylphenoxy)-6-ethylpyrimidine
CID 46033666
4-(4-chloro-3-methylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine
CID 46033447
4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-6-phenoxypyrimidine
CID 46033452
2-benzylsulfanyl-4-(3,5-dimethylphenoxy)-6-ethylpyrimidine
CID 46033420
4-(4-chloro-3-methylphenoxy)-6-ethyl-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine
CID 46033410
4-(3-methoxyphenoxy)-2-[(2-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033825
4-(3,5-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine
CID 42846045
4-(1,3-benzodioxol-5-yloxy)-2-[(2-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033830
2-[(3,5-difluorophenyl)methylsulfanyl]-4-ethyl-6-(4-methylphenoxy)pyrimidine
CID 46033669
2-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-6-(4-methylphenoxy)pyrimidine
CID 46033519
2-[(2,6-difluorophenyl)methylsulfanyl]-4-ethyl-6-(4-propan-2-ylphenoxy)pyrimidine
CID 42846064

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine?
The IUPAC name of 4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine (CID 42846053) is 4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine is CCc1cc(Oc2ccc(C)c(C)c2)nc(SCc2ccccc2C)n1.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine?
The InChIKey is SXASJQPSZBCMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-5-19-13-21(25-20-11-10-15(2)17(4)12-20)24-22(23-19)26-14-18-9-7-6-8-16(18)3/h6-13H,5,14H2,1-4H3.
What are the key properties of 4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine?
4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine has a molecular weight of 364.51 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-6-ethyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 42846053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).