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

C22H24N2OS — CID 42846047

IUPAC4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine
SMILESCCc1cc(Oc2ccc(C)cc2C)nc(SCc2ccc(C)cc2)n1
InChIInChI=1S/C22H24N2OS/c1-5-19-13-21(25-20-11-8-16(3)12-17(20)4)24-22(23-19)26-14-18-9-6-15(2)7-10-18/h6-13H,5,14H2,1-4H3
InChIKeyHJZRUYDXNAMNGS-UHFFFAOYSA-N
MW364.51 g/mol
LogP6.05
Rot. Bonds6

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

4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine (PubChem CID 42846047) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine
PubChem CID42846047
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC Name4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine
SMILESCCc1cc(Oc2ccc(C)cc2C)nc(SCc2ccc(C)cc2)n1
InChIInChI=1S/C22H24N2OS/c1-5-19-13-21(25-20-11-8-16(3)12-17(20)4)24-22(23-19)26-14-18-9-6-15(2)7-10-18/h6-13H,5,14H2,1-4H3
InChIKeyHJZRUYDXNAMNGS-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine?
The IUPAC name of 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine (CID 42846047) is 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine is CCc1cc(Oc2ccc(C)cc2C)nc(SCc2ccc(C)cc2)n1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine?
The InChIKey is HJZRUYDXNAMNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-5-19-13-21(25-20-11-8-16(3)12-17(20)4)24-22(23-19)26-14-18-9-6-15(2)7-10-18/h6-13H,5,14H2,1-4H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine?
4-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-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-(2,4-dimethylphenoxy)-6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 42846047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).