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

C22H24N2O2S — CID 46033611

IUPAC4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine
SMILESCCc1cc(Oc2ccc(C)cc2C)nc(SCc2cccc(OC)c2)n1
InChIInChI=1S/C22H24N2O2S/c1-5-18-13-21(26-20-10-9-15(2)11-16(20)3)24-22(23-18)27-14-17-7-6-8-19(12-17)25-4/h6-13H,5,14H2,1-4H3
InChIKeyXFUZMTUDDBCLFS-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.75
Rot. Bonds7

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

4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine (PubChem CID 46033611) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine
PubChem CID46033611
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine
SMILESCCc1cc(Oc2ccc(C)cc2C)nc(SCc2cccc(OC)c2)n1
InChIInChI=1S/C22H24N2O2S/c1-5-18-13-21(26-20-10-9-15(2)11-16(20)3)24-22(23-18)27-14-17-7-6-8-19(12-17)25-4/h6-13H,5,14H2,1-4H3
InChIKeyXFUZMTUDDBCLFS-UHFFFAOYSA-N
XLogP5.75
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine?
The IUPAC name of 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine (CID 46033611) is 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine is CCc1cc(Oc2ccc(C)cc2C)nc(SCc2cccc(OC)c2)n1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine?
The InChIKey is XFUZMTUDDBCLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-5-18-13-21(26-20-10-9-15(2)11-16(20)3)24-22(23-18)27-14-17-7-6-8-19(12-17)25-4/h6-13H,5,14H2,1-4H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine?
4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine has a molecular weight of 380.51 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 46033611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).