4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine

C18H15ClN2OS — CID 1479483

IUPAC4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2OS/c1-22-12-15-11-17(23-16-9-7-14(19)8-10-16)21-18(20-15)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyYWIQHRNOJXUJIY-UHFFFAOYSA-N
MW342.85 g/mol
LogP5.09
Rot. Bonds5

About 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine

4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine (PubChem CID 1479483) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine
PubChem CID1479483
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine
SMILESCOCc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H15ClN2OS/c1-22-12-15-11-17(23-16-9-7-14(19)8-10-16)21-18(20-15)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyYWIQHRNOJXUJIY-UHFFFAOYSA-N
XLogP5.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.85
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine (CID 1479483) is 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine is COCc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
The InChIKey is YWIQHRNOJXUJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-22-12-15-11-17(23-16-9-7-14(19)8-10-16)21-18(20-15)13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine?
4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine has a molecular weight of 342.85 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-6-(methoxymethyl)-2-phenylpyrimidine is sourced from PubChem (CID 1479483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).