4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine

C18H14Cl2N2OS — CID 46034013

IUPAC4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine
SMILESCc1cc(Oc2ccccc2Cl)nc(SCc2ccccc2Cl)n1
InChIInChI=1S/C18H14Cl2N2OS/c1-12-10-17(23-16-9-5-4-8-15(16)20)22-18(21-12)24-11-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3
InChIKeyVICIYANIXQFHNF-UHFFFAOYSA-N
MW377.30 g/mol
LogP6.18
Rot. Bonds5

About 4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine

4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine (PubChem CID 46034013) has the molecular formula C18H14Cl2N2OS and a molecular weight of 377.30 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine
PubChem CID46034013
Molecular FormulaC18H14Cl2N2OS
Molecular Weight377.30 g/mol
Exact Mass376.02
IUPAC Name4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine
SMILESCc1cc(Oc2ccccc2Cl)nc(SCc2ccccc2Cl)n1
InChIInChI=1S/C18H14Cl2N2OS/c1-12-10-17(23-16-9-5-4-8-15(16)20)22-18(21-12)24-11-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3
InChIKeyVICIYANIXQFHNF-UHFFFAOYSA-N
XLogP6.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.30
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine?
The IUPAC name of 4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine (CID 46034013) is 4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine?
The canonical SMILES for 4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine is Cc1cc(Oc2ccccc2Cl)nc(SCc2ccccc2Cl)n1.
What is the InChIKey of 4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine?
The InChIKey is VICIYANIXQFHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2OS/c1-12-10-17(23-16-9-5-4-8-15(16)20)22-18(21-12)24-11-13-6-2-3-7-14(13)19/h2-10H,11H2,1H3.
What are the key properties of 4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine?
4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine has a molecular weight of 377.30 g/mol, XLogP of 6.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine is sourced from PubChem (CID 46034013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).