4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine

C15H9Cl2N3S — CID 11771968

IUPAC4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESClc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1Cl
InChIInChI=1S/C15H9Cl2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H
InChIKeyOHXDZMRKYJSXLE-UHFFFAOYSA-N
MW334.23 g/mol
LogP5.00
Rot. Bonds3

About 4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine

4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine (PubChem CID 11771968) has the molecular formula C15H9Cl2N3S and a molecular weight of 334.23 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
PubChem CID11771968
Molecular FormulaC15H9Cl2N3S
Molecular Weight334.23 g/mol
Exact Mass332.99
IUPAC Name4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine
SMILESClc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1Cl
InChIInChI=1S/C15H9Cl2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H
InChIKeyOHXDZMRKYJSXLE-UHFFFAOYSA-N
XLogP5.00
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chlorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11381029
4-(3-Chlorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11460771
4-(Phenylsulfanyl)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 1473292
4-(3,4-Dichlorophenylthio)-2-(5-fluoropyridin-2-yl)pyrimidine
CID 11256656
4-[(3,4-Dichlorophenyl)thio]-2-(6-methylpyridin-2-yl)pyrimidine
CID 11382452
4-[(4-Chlorophenyl)sulfanyl]-2-(2-pyridinyl)-5-pyrimidinyl methyl ether
CID 1487214
4-Benzylsulfanyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidine
CID 2725999
4-(3,4-Difluorophenylthio)-2-(pyridin-2-yl)pyrimidine
CID 11370077
4-(((4-Chlorophenyl)sulfanyl)methyl)-2-(2-pyridinyl)-6-(1-pyrrolidinyl)pyrimidine
CID 1489500
4-(4-Chlorophenylthio)-6-methyl-2-(pyridin-2-yl)pyrimidine
CID 2725933
5-Chloro-4-(4-chlorophenyl)sulfanyl-6-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
CID 2745956
4-[(3-Chlorophenyl)sulfanyl]-2-(2-pyridinyl)-5-pyrimidinyl methyl ether
CID 3740241

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine (CID 11771968) is 4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine is Clc1ccc(Sc2ccnc(-c3ccccn3)n2)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
The InChIKey is OHXDZMRKYJSXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H.
What are the key properties of 4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine?
4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine has a molecular weight of 334.23 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)sulfanyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 11771968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).