5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine

C18H16N2O2S — CID 1491530

IUPAC5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine
SMILESCOc1ccc(Sc2nc(-c3ccccc3)ncc2OC)cc1
InChIInChI=1S/C18H16N2O2S/c1-21-14-8-10-15(11-9-14)23-18-16(22-2)12-19-17(20-18)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyOXXCFKCPCLGDQX-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.31
Rot. Bonds5

About 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine

5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine (PubChem CID 1491530) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine.

Molecular Properties

Compound Name5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine
PubChem CID1491530
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine
SMILESCOc1ccc(Sc2nc(-c3ccccc3)ncc2OC)cc1
InChIInChI=1S/C18H16N2O2S/c1-21-14-8-10-15(11-9-14)23-18-16(22-2)12-19-17(20-18)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyOXXCFKCPCLGDQX-UHFFFAOYSA-N
XLogP4.31
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine?
The IUPAC name of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine (CID 1491530) is 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine.
What is the SMILES notation for 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine?
The canonical SMILES for 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine is COc1ccc(Sc2nc(-c3ccccc3)ncc2OC)cc1.
What is the InChIKey of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine?
The InChIKey is OXXCFKCPCLGDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-21-14-8-10-15(11-9-14)23-18-16(22-2)12-19-17(20-18)13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine?
5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine has a molecular weight of 324.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-methoxyphenyl)sulfanyl-2-phenylpyrimidine is sourced from PubChem (CID 1491530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).