4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine

C10H5Cl3N2S — CID 61279581

IUPAC4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine
SMILESClc1ccc(Cl)c(Sc2cc(Cl)ncn2)c1
InChIInChI=1S/C10H5Cl3N2S/c11-6-1-2-7(12)8(3-6)16-10-4-9(13)14-5-15-10/h1-5H
InChIKeyNYIXKVQHVHZXAZ-UHFFFAOYSA-N
MW291.59 g/mol
LogP4.59
Rot. Bonds2

About 4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine

4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine (PubChem CID 61279581) has the molecular formula C10H5Cl3N2S and a molecular weight of 291.59 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine
PubChem CID61279581
Molecular FormulaC10H5Cl3N2S
Molecular Weight291.59 g/mol
Exact Mass289.92
IUPAC Name4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine
SMILESClc1ccc(Cl)c(Sc2cc(Cl)ncn2)c1
InChIInChI=1S/C10H5Cl3N2S/c11-6-1-2-7(12)8(3-6)16-10-4-9(13)14-5-15-10/h1-5H
InChIKeyNYIXKVQHVHZXAZ-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.59
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine (CID 61279581) is 4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine is Clc1ccc(Cl)c(Sc2cc(Cl)ncn2)c1.
What is the InChIKey of 4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine?
The InChIKey is NYIXKVQHVHZXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2S/c11-6-1-2-7(12)8(3-6)16-10-4-9(13)14-5-15-10/h1-5H.
What are the key properties of 4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine?
4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine has a molecular weight of 291.59 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine is sourced from PubChem (CID 61279581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).