4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine

C12H10Cl2N2OS — CID 19934751

IUPAC4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine
SMILESCOc1ccccc1Sc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-7-15-11(13)10(12(14)16-7)18-9-6-4-3-5-8(9)17-2/h3-6H,1-2H3
InChIKeyJIQVEFILNKUFHZ-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.25
Rot. Bonds3

About 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine

4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine (PubChem CID 19934751) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine
PubChem CID19934751
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine
SMILESCOc1ccccc1Sc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C12H10Cl2N2OS/c1-7-15-11(13)10(12(14)16-7)18-9-6-4-3-5-8(9)17-2/h3-6H,1-2H3
InChIKeyJIQVEFILNKUFHZ-UHFFFAOYSA-N
XLogP4.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine 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

4,6-dichloro-5-[(E)-2-(2-methoxyphenyl)sulfonylethenyl]pyrimidine
CID 72190605
2-Chloro-4,6-bis[(2-methoxyphenyl)sulfanyl]pyrimidine
CID 11101225
4-Chloro-2-(3-fluorophenoxy)-6-methylsulfanylpyrimidine
CID 118960406
4,6-Dichloro-2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-5-fluoropyrimidine
CID 106600626
4-Chloro-6-(2-methylsulfanylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766788
4-Chloro-6-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766790
4-Chloro-6-(3-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768635
4-Chloro-6-(4-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768641
4-Chloro-6-(2-methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidine
CID 106768692
6-(2-Methoxyphenyl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775088
4,6-Dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine
CID 10859119
4-Chloro-5-(4-methoxy-benzenesulfonyl)-2-methylpyrimidine
CID 21941670

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine (CID 19934751) is 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine is COc1ccccc1Sc1c(Cl)nc(C)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine?
The InChIKey is JIQVEFILNKUFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-7-15-11(13)10(12(14)16-7)18-9-6-4-3-5-8(9)17-2/h3-6H,1-2H3.
What are the key properties of 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine?
4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine has a molecular weight of 301.20 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-methoxyphenyl)sulfanyl-2-methylpyrimidine is sourced from PubChem (CID 19934751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).