4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine

C20H20N2OS — CID 46033960

IUPAC4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine
SMILESCc1cccc(CSc2nc(C)cc(Oc3cccc(C)c3)n2)c1
InChIInChI=1S/C20H20N2OS/c1-14-6-4-8-17(10-14)13-24-20-21-16(3)12-19(22-20)23-18-9-5-7-15(2)11-18/h4-12H,13H2,1-3H3
InChIKeyYSMOUYKSNRAJEX-UHFFFAOYSA-N
MW336.46 g/mol
LogP5.49
Rot. Bonds5

About 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine

4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine (PubChem CID 46033960) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine
PubChem CID46033960
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine
SMILESCc1cccc(CSc2nc(C)cc(Oc3cccc(C)c3)n2)c1
InChIInChI=1S/C20H20N2OS/c1-14-6-4-8-17(10-14)13-24-20-21-16(3)12-19(22-20)23-18-9-5-7-15(2)11-18/h4-12H,13H2,1-3H3
InChIKeyYSMOUYKSNRAJEX-UHFFFAOYSA-N
XLogP5.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine 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

4-methyl-6-(3-methylphenoxy)-2-[(4-nitrophenyl)methylsulfanyl]pyrimidine
CID 46154780
2-benzylsulfanyl-4-(3-methylphenoxy)-6-propan-2-ylpyrimidine
CID 46033210
4-methyl-6-phenoxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
CID 46034104
2-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenoxy)-6-(trifluoromethyl)pyrimidine
CID 46033807
2-benzylsulfanyl-4-(3,5-dimethylphenoxy)-6-ethylpyrimidine
CID 46033420
2-[(2-chlorophenyl)methylsulfanyl]-4-(3-methylphenoxy)-6-propan-2-ylpyrimidine
CID 46033305
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
4-(2,3-dimethylphenoxy)-6-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyrimidine
CID 46034103
4-(2,4-dimethylphenoxy)-6-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidine
CID 46033611
4-ethyl-2-[(3-methoxyphenyl)methylsulfanyl]-6-(3-propan-2-ylphenoxy)pyrimidine
CID 46033610
2-[(3-chlorophenyl)methylsulfanyl]-4-ethyl-6-(3-fluorophenoxy)pyrimidine
CID 46033499
4-(1,3-benzodioxol-5-yloxy)-2-[(3,5-difluorophenyl)methylsulfanyl]-6-methylpyrimidine
CID 46154792

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine?
The IUPAC name of 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine (CID 46033960) is 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine?
The canonical SMILES for 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine is Cc1cccc(CSc2nc(C)cc(Oc3cccc(C)c3)n2)c1.
What is the InChIKey of 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine?
The InChIKey is YSMOUYKSNRAJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14-6-4-8-17(10-14)13-24-20-21-16(3)12-19(22-20)23-18-9-5-7-15(2)11-18/h4-12H,13H2,1-3H3.
What are the key properties of 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine?
4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine has a molecular weight of 336.46 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylphenoxy)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 46033960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).