2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine

C9H6ClFN2OS — CID 79076416

IUPAC2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine
SMILESFc1cnc(Cl)nc1SCc1ccco1
InChIInChI=1S/C9H6ClFN2OS/c10-9-12-4-7(11)8(13-9)15-5-6-2-1-3-14-6/h1-4H,5H2
InChIKeyLKFMYPPXMAKFBU-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.15
Rot. Bonds3

About 2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine

2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine (PubChem CID 79076416) has the molecular formula C9H6ClFN2OS and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine
PubChem CID79076416
Molecular FormulaC9H6ClFN2OS
Molecular Weight244.68 g/mol
Exact Mass243.99
IUPAC Name2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine
SMILESFc1cnc(Cl)nc1SCc1ccco1
InChIInChI=1S/C9H6ClFN2OS/c10-9-12-4-7(11)8(13-9)15-5-6-2-1-3-14-6/h1-4H,5H2
InChIKeyLKFMYPPXMAKFBU-UHFFFAOYSA-N
XLogP3.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine (CID 79076416) is 2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine is Fc1cnc(Cl)nc1SCc1ccco1.
What is the InChIKey of 2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine?
The InChIKey is LKFMYPPXMAKFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2OS/c10-9-12-4-7(11)8(13-9)15-5-6-2-1-3-14-6/h1-4H,5H2.
What are the key properties of 2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine?
2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine has a molecular weight of 244.68 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(furan-2-ylmethylsulfanyl)pyrimidine is sourced from PubChem (CID 79076416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).