4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine

C11H8Cl2N2OS — CID 10859119

IUPAC4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine
SMILESCOc1ccccc1Sc1c(Cl)ncnc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c1-16-7-4-2-3-5-8(7)17-9-10(12)14-6-15-11(9)13/h2-6H,1H3
InChIKeySDEPSILVDLKJOR-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.94
Rot. Bonds3

About 4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine

4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine (PubChem CID 10859119) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine
PubChem CID10859119
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine
SMILESCOc1ccccc1Sc1c(Cl)ncnc1Cl
InChIInChI=1S/C11H8Cl2N2OS/c1-16-7-4-2-3-5-8(7)17-9-10(12)14-6-15-11(9)13/h2-6H,1H3
InChIKeySDEPSILVDLKJOR-UHFFFAOYSA-N
XLogP3.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine (CID 10859119) is 4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine is COc1ccccc1Sc1c(Cl)ncnc1Cl.
What is the InChIKey of 4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine?
The InChIKey is SDEPSILVDLKJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c1-16-7-4-2-3-5-8(7)17-9-10(12)14-6-15-11(9)13/h2-6H,1H3.
What are the key properties of 4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine?
4,6-dichloro-5-(2-methoxyphenyl)sulfanylpyrimidine has a molecular weight of 287.17 g/mol, XLogP of 3.94, 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)sulfanylpyrimidine is sourced from PubChem (CID 10859119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).