4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine

C22H18N2O2S2 — CID 12826255

IUPAC4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)nc(Sc3cccs3)n2)cc1
InChIInChI=1S/C22H18N2O2S2/c1-25-17-9-5-15(6-10-17)19-14-20(16-7-11-18(26-2)12-8-16)24-22(23-19)28-21-4-3-13-27-21/h3-14H,1-2H3
InChIKeyABLRBOFASOFHCO-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.04
Rot. Bonds6

About 4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine

4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine (PubChem CID 12826255) has the molecular formula C22H18N2O2S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine
PubChem CID12826255
Molecular FormulaC22H18N2O2S2
Molecular Weight406.53 g/mol
Exact Mass406.08
IUPAC Name4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)nc(Sc3cccs3)n2)cc1
InChIInChI=1S/C22H18N2O2S2/c1-25-17-9-5-15(6-10-17)19-14-20(16-7-11-18(26-2)12-8-16)24-22(23-19)28-21-4-3-13-27-21/h3-14H,1-2H3
InChIKeyABLRBOFASOFHCO-UHFFFAOYSA-N
XLogP6.04
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-2-phenyl-6-thiophen-2-ylpyridine
CID 13191008
3-(4-methoxyphenyl)-5-thiophen-2-yl-1H-pyrazole
CID 18175413
2,4,6-tris(4-methoxyphenyl)pyrimidine
CID 11784296
2-(4-methoxyphenyl)-4,6-diphenylpyrimidine
CID 12706669
N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888545
5-(4-methoxyphenyl)-4-thiophen-2-yl-2H-triazol-1-ium
CID 173012809
3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
CID 177007601
2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene
CID 25194683
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-thiophen-2-ylprop-2-enenitrile
CID 2753834
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine?
The IUPAC name of 4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine (CID 12826255) is 4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine?
The canonical SMILES for 4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine is COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(Sc3cccs3)n2)cc1.
What is the InChIKey of 4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine?
The InChIKey is ABLRBOFASOFHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S2/c1-25-17-9-5-15(6-10-17)19-14-20(16-7-11-18(26-2)12-8-16)24-22(23-19)28-21-4-3-13-27-21/h3-14H,1-2H3.
What are the key properties of 4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine?
4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine has a molecular weight of 406.53 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-methoxyphenyl)-2-thiophen-2-ylsulfanylpyrimidine is sourced from PubChem (CID 12826255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).