4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine

C11H8Cl2N2S — CID 623101

IUPAC4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine
SMILESCSc1nc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H8Cl2N2S/c1-16-11-14-9(12)8(10(13)15-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyLMTMZMBTPXASSW-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.17
Rot. Bonds2

About 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine

4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine (PubChem CID 623101) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine
PubChem CID623101
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC Name4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine
SMILESCSc1nc(Cl)c(-c2ccccc2)c(Cl)n1
InChIInChI=1S/C11H8Cl2N2S/c1-16-11-14-9(12)8(10(13)15-11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyLMTMZMBTPXASSW-UHFFFAOYSA-N
XLogP4.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine?
The IUPAC name of 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine (CID 623101) is 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine is CSc1nc(Cl)c(-c2ccccc2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine?
The InChIKey is LMTMZMBTPXASSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c1-16-11-14-9(12)8(10(13)15-11)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine?
4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine has a molecular weight of 271.17 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methylsulfanyl-5-phenylpyrimidine is sourced from PubChem (CID 623101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).