2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine

C24H20N2OS — CID 46033135

IUPAC2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine
SMILESCc1ccccc1Oc1cc(-c2ccccc2)nc(SCc2ccccc2)n1
InChIInChI=1S/C24H20N2OS/c1-18-10-8-9-15-22(18)27-23-16-21(20-13-6-3-7-14-20)25-24(26-23)28-17-19-11-4-2-5-12-19/h2-16H,17H2,1H3
InChIKeyMDUZOWFQOFJHAJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP6.54
Rot. Bonds6

About 2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine

2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine (PubChem CID 46033135) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine
PubChem CID46033135
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Name2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine
SMILESCc1ccccc1Oc1cc(-c2ccccc2)nc(SCc2ccccc2)n1
InChIInChI=1S/C24H20N2OS/c1-18-10-8-9-15-22(18)27-23-16-21(20-13-6-3-7-14-20)25-24(26-23)28-17-19-11-4-2-5-12-19/h2-16H,17H2,1H3
InChIKeyMDUZOWFQOFJHAJ-UHFFFAOYSA-N
XLogP6.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine
CID 42845948
4-methyl-6-(2-methylphenoxy)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidine
CID 46154781
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine
CID 162640165
2-benzylsulfanyl-4-chloro-6-phenylpyrimidine
CID 16642955
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 27042561
2-benzylsulfanyl-4-(2-fluorophenoxy)-6-propan-2-ylpyrimidine
CID 46033216
2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 3668980
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
4-(2,3-dimethylphenoxy)-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
CID 46034103
2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxyacetic acid
CID 70198672
2-benzylsulfanyl-4-(3,5-dimethylphenoxy)-6-ethylpyrimidine
CID 46033420
2-benzylsulfanyl-4-phenylpyrimidine
CID 13116377

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine?
The IUPAC name of 2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine (CID 46033135) is 2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine?
The canonical SMILES for 2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine is Cc1ccccc1Oc1cc(-c2ccccc2)nc(SCc2ccccc2)n1.
What is the InChIKey of 2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine?
The InChIKey is MDUZOWFQOFJHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2OS/c1-18-10-8-9-15-22(18)27-23-16-21(20-13-6-3-7-14-20)25-24(26-23)28-17-19-11-4-2-5-12-19/h2-16H,17H2,1H3.
What are the key properties of 2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine?
2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine has a molecular weight of 384.50 g/mol, XLogP of 6.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine is sourced from PubChem (CID 46033135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).