4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine

C12H10BrClN2OS — CID 82824209

IUPAC4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OCc2ccccc2Br)n1
InChIInChI=1S/C12H10BrClN2OS/c1-18-12-15-10(14)6-11(16-12)17-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3
InChIKeyXZOPFANWUNDDET-UHFFFAOYSA-N
MW345.65 g/mol
LogP4.19
Rot. Bonds4

About 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine

4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine (PubChem CID 82824209) has the molecular formula C12H10BrClN2OS and a molecular weight of 345.65 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine
PubChem CID82824209
Molecular FormulaC12H10BrClN2OS
Molecular Weight345.65 g/mol
Exact Mass343.94
IUPAC Name4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OCc2ccccc2Br)n1
InChIInChI=1S/C12H10BrClN2OS/c1-18-12-15-10(14)6-11(16-12)17-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3
InChIKeyXZOPFANWUNDDET-UHFFFAOYSA-N
XLogP4.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine 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-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine
CID 80544536
4-[(2-bromophenyl)methoxy]-2-chloroquinoline
CID 42597758
4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine
CID 19690807
4-[(2-bromophenyl)methoxy]-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114562131
4-chloro-2-methylsulfanyl-6-(3,3,3-trifluoropropoxy)pyrimidine
CID 82955064
2-[(2-bromophenyl)methoxy]-4,6-dichloro-1,3,5-triazine
CID 82823763
2-chloro-6-[(2-fluorophenyl)methoxy]pyridin-4-amine
CID 114070689
2-[(2-bromophenyl)methoxy]pyridine
CID 24799165
2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013848
4-(6-bromonaphthalen-2-yl)oxy-6-chloro-2-methylsulfanylpyrimidine
CID 80542273
6-chloro-N-[(2-fluorophenyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 112724528
5-bromo-2-[(2-bromophenyl)methoxy]pyridine
CID 82832179

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine (CID 82824209) is 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(OCc2ccccc2Br)n1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine?
The InChIKey is XZOPFANWUNDDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2OS/c1-18-12-15-10(14)6-11(16-12)17-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3.
What are the key properties of 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine?
4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine has a molecular weight of 345.65 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine is sourced from PubChem (CID 82824209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).