4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine

C11H8Cl2FN3S2 — CID 23293890

IUPAC4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine
SMILESCSc1nc(SCc2ncccc2Cl)nc(Cl)c1F
InChIInChI=1S/C11H8Cl2FN3S2/c1-18-10-8(14)9(13)16-11(17-10)19-5-7-6(12)3-2-4-15-7/h2-4H,5H2,1H3
InChIKeyQTQCZGSDLGANBB-UHFFFAOYSA-N
MW336.24 g/mol
LogP4.33
Rot. Bonds4

About 4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine

4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine (PubChem CID 23293890) has the molecular formula C11H8Cl2FN3S2 and a molecular weight of 336.24 g/mol. Its IUPAC name is 4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine
PubChem CID23293890
Molecular FormulaC11H8Cl2FN3S2
Molecular Weight336.24 g/mol
Exact Mass334.95
IUPAC Name4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine
SMILESCSc1nc(SCc2ncccc2Cl)nc(Cl)c1F
InChIInChI=1S/C11H8Cl2FN3S2/c1-18-10-8(14)9(13)16-11(17-10)19-5-7-6(12)3-2-4-15-7/h2-4H,5H2,1H3
InChIKeyQTQCZGSDLGANBB-UHFFFAOYSA-N
XLogP4.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine (CID 23293890) is 4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine is CSc1nc(SCc2ncccc2Cl)nc(Cl)c1F.
What is the InChIKey of 4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine?
The InChIKey is QTQCZGSDLGANBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3S2/c1-18-10-8(14)9(13)16-11(17-10)19-5-7-6(12)3-2-4-15-7/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine?
4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine has a molecular weight of 336.24 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chloro-2-pyridinyl)methylsulfanyl]-5-fluoro-6-methylsulfanylpyrimidine is sourced from PubChem (CID 23293890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).