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

C12H10Cl2N2OS — CID 80544536

IUPAC4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OCc2ccccc2Cl)n1
InChIInChI=1S/C12H10Cl2N2OS/c1-18-12-15-10(14)6-11(16-12)17-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3
InChIKeyUCYQEERHGPBVIL-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.08
Rot. Bonds4

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

4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine (PubChem CID 80544536) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine
PubChem CID80544536
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OCc2ccccc2Cl)n1
InChIInChI=1S/C12H10Cl2N2OS/c1-18-12-15-10(14)6-11(16-12)17-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3
InChIKeyUCYQEERHGPBVIL-UHFFFAOYSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-[(2-chlorophenyl)methoxy]-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-[(2-bromophenyl)methoxy]-6-chloro-2-methylsulfanylpyrimidine
CID 82824209
2-chloro-6-[(2-chlorophenyl)methoxy]-4-nitropyridine
CID 114070707
4-chloro-6-(2,3-dichlorophenoxy)-2-methylsulfanylpyrimidine
CID 113221056
4-chloro-2-methylsulfanyl-6-(3,3,3-trifluoropropoxy)pyrimidine
CID 82955064
2-chloro-6-[(2-fluorophenyl)methoxy]pyridin-4-amine
CID 114070689
4-bromo-2-methylsulfanyl-6-phenylmethoxypyrimidine
CID 19690807
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]pyridine
CID 61255794
4-chloro-2-methylsulfanyl-6-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643212
2-[(2-chlorophenyl)methoxy]quinoline-4-carbonitrile
CID 63885664
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
1-[5-chloro-2-[(2-chlorophenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 114927670
6-chloro-N-(2-chlorophenyl)-2-methylsulfanylpyrimidin-4-amine
CID 80545283

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine (CID 80544536) is 4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(OCc2ccccc2Cl)n1.
What is the InChIKey of 4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine?
The InChIKey is UCYQEERHGPBVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/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-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine?
4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine has a molecular weight of 301.20 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-chlorophenyl)methoxy]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 80544536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).