4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine

C18H16N2O3S2 — CID 1487960

IUPAC4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine
SMILESCOc1cccc(Sc2nc(-c3ccccc3)ncc2S(C)(=O)=O)c1
InChIInChI=1S/C18H16N2O3S2/c1-23-14-9-6-10-15(11-14)24-18-16(25(2,21)22)12-19-17(20-18)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyFCIFOFFXRJGMDL-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.71
Rot. Bonds5

About 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine

4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine (PubChem CID 1487960) has the molecular formula C18H16N2O3S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine
PubChem CID1487960
Molecular FormulaC18H16N2O3S2
Molecular Weight372.47 g/mol
Exact Mass372.06
IUPAC Name4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine
SMILESCOc1cccc(Sc2nc(-c3ccccc3)ncc2S(C)(=O)=O)c1
InChIInChI=1S/C18H16N2O3S2/c1-23-14-9-6-10-15(11-14)24-18-16(25(2,21)22)12-19-17(20-18)13-7-4-3-5-8-13/h3-12H,1-2H3
InChIKeyFCIFOFFXRJGMDL-UHFFFAOYSA-N
XLogP3.71
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-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

5-(Benzenesulfonyl)-4-methoxy-2-phenylpyrimidine
CID 1488907
5-Methoxy-4-[(4-methoxyphenyl)sulfanyl]-2-phenylpyrimidine
CID 1491530
5-Methoxy-4-[(2-methoxyphenyl)sulfanyl]-2-phenylpyrimidine
CID 1491532
4-[(4-Methoxyphenyl)sulfanyl]-2-phenyl-5-pyrimidinecarboxylic acid
CID 1474612
4-{6-[(3-Methoxyphenyl)sulfanyl]-2-phenyl-4-pyrimidinyl}morpholine
CID 1484727
4-(4-Chlorophenoxy)-5-(methylsulfonyl)-2-phenylpyrimidine
CID 1487963
5-(Benzenesulfonyl)-4-(4-methoxyphenoxy)-2-phenylpyrimidine
CID 3509788
5-(Benzenesulfonyl)-4-(2,6-dimethylphenoxy)-2-phenylpyrimidine
CID 3767519
4-(4-Methylphenoxy)-5-[(4-methylphenyl)sulfonyl]-2-phenylpyrimidine
CID 3780166
4-(4-Fluorophenoxy)-5-(methylsulfonyl)-2-phenylpyrimidine
CID 1487620
4-(4-Methylphenoxy)-5-(methylsulfonyl)-2-phenylpyrimidine
CID 1487964
4-(4-Methoxyphenyl)-5-(methylsulfonyl)-2-phenylpyrimidine
CID 1488336

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine?
The IUPAC name of 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine (CID 1487960) is 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine?
The canonical SMILES for 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine is COc1cccc(Sc2nc(-c3ccccc3)ncc2S(C)(=O)=O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine?
The InChIKey is FCIFOFFXRJGMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S2/c1-23-14-9-6-10-15(11-14)24-18-16(25(2,21)22)12-19-17(20-18)13-7-4-3-5-8-13/h3-12H,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine?
4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine has a molecular weight of 372.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfanyl-5-methylsulfonyl-2-phenylpyrimidine is sourced from PubChem (CID 1487960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).