2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine

C23H18N2OS — CID 42845948

IUPAC2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine
SMILESc1ccc(CSc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H18N2OS/c1-4-10-18(11-5-1)17-27-23-24-21(19-12-6-2-7-13-19)16-22(25-23)26-20-14-8-3-9-15-20/h1-16H,17H2
InChIKeyMGYMDYYPDHKAOO-UHFFFAOYSA-N
MW370.48 g/mol
LogP6.23
Rot. Bonds6

About 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine

2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine (PubChem CID 42845948) has the molecular formula C23H18N2OS and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine
PubChem CID42845948
Molecular FormulaC23H18N2OS
Molecular Weight370.48 g/mol
Exact Mass370.11
IUPAC Name2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine
SMILESc1ccc(CSc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H18N2OS/c1-4-10-18(11-5-1)17-27-23-24-21(19-12-6-2-7-13-19)16-22(25-23)26-20-14-8-3-9-15-20/h1-16H,17H2
InChIKeyMGYMDYYPDHKAOO-UHFFFAOYSA-N
XLogP6.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylsulfanyl-4-(2-methylphenoxy)-6-phenylpyrimidine
CID 46033135
2-benzylsulfanyl-4-chloro-6-phenylpyrimidine
CID 16642955
2-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenylpyrimidine
CID 27042561
4-ethyl-2-[(4-methylphenyl)methylsulfanyl]-6-phenoxypyrimidine
CID 46033452
4-methyl-6-phenoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
CID 46034104
2-benzylsulfanyl-4-(3-methylphenoxy)-6-propan-2-ylpyrimidine
CID 46033210
2-benzylsulfanyl-4-(3,5-dimethylphenoxy)-6-ethylpyrimidine
CID 46033420
2-benzylsulfanyl-4-phenylpyrimidine
CID 13116377
4-ethyl-2-[(3-nitrophenyl)methylsulfanyl]-6-phenoxypyrimidine
CID 46033628
2-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-6-phenylpyrimidine
CID 162640165
4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine
CID 46033960
2-[(4-nitrophenyl)methylsulfanyl]-4-phenoxy-6-propan-2-ylpyrimidine
CID 42846020

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine?
The IUPAC name of 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine (CID 42845948) is 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine?
The canonical SMILES for 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine is c1ccc(CSc2nc(Oc3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine?
The InChIKey is MGYMDYYPDHKAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2OS/c1-4-10-18(11-5-1)17-27-23-24-21(19-12-6-2-7-13-19)16-22(25-23)26-20-14-8-3-9-15-20/h1-16H,17H2.
What are the key properties of 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine?
2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine has a molecular weight of 370.48 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-phenoxy-6-phenylpyrimidine is sourced from PubChem (CID 42845948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).