4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine

C15H9Cl2N3S — CID 115914973

IUPAC4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine
SMILESClc1ccc(Sc2cc(Cl)nc(-c3ccccc3)n2)nc1
InChIInChI=1S/C15H9Cl2N3S/c16-11-6-7-13(18-9-11)21-14-8-12(17)19-15(20-14)10-4-2-1-3-5-10/h1-9H
InChIKeyLODNWHQHJGDXKH-UHFFFAOYSA-N
MW334.23 g/mol
LogP5.00
Rot. Bonds3

About 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine

4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine (PubChem CID 115914973) has the molecular formula C15H9Cl2N3S and a molecular weight of 334.23 g/mol. Its IUPAC name is 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine
PubChem CID115914973
Molecular FormulaC15H9Cl2N3S
Molecular Weight334.23 g/mol
Exact Mass332.99
IUPAC Name4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine
SMILESClc1ccc(Sc2cc(Cl)nc(-c3ccccc3)n2)nc1
InChIInChI=1S/C15H9Cl2N3S/c16-11-6-7-13(18-9-11)21-14-8-12(17)19-15(20-14)10-4-2-1-3-5-10/h1-9H
InChIKeyLODNWHQHJGDXKH-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine (CID 115914973) is 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine is Clc1ccc(Sc2cc(Cl)nc(-c3ccccc3)n2)nc1.
What is the InChIKey of 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine?
The InChIKey is LODNWHQHJGDXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3S/c16-11-6-7-13(18-9-11)21-14-8-12(17)19-15(20-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine?
4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine 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-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-phenylpyrimidine is sourced from PubChem (CID 115914973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).