2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine

C11H8F2N2S — CID 47124414

IUPAC2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine
SMILESFc1cccc(CSc2ncccn2)c1F
InChIInChI=1S/C11H8F2N2S/c12-9-4-1-3-8(10(9)13)7-16-11-14-5-2-6-15-11/h1-6H,7H2
InChIKeyYLRKMIMWCAHMIF-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.05
Rot. Bonds3

About 2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine

2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine (PubChem CID 47124414) has the molecular formula C11H8F2N2S and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine
PubChem CID47124414
Molecular FormulaC11H8F2N2S
Molecular Weight238.26 g/mol
Exact Mass238.04
IUPAC Name2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine
SMILESFc1cccc(CSc2ncccn2)c1F
InChIInChI=1S/C11H8F2N2S/c12-9-4-1-3-8(10(9)13)7-16-11-14-5-2-6-15-11/h1-6H,7H2
InChIKeyYLRKMIMWCAHMIF-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 135545034
N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 462458
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CID 608704
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acs.jmedchem.1c00409_ST.268
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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine?
The IUPAC name of 2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine (CID 47124414) is 2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine?
The canonical SMILES for 2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine is Fc1cccc(CSc2ncccn2)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine?
The InChIKey is YLRKMIMWCAHMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2S/c12-9-4-1-3-8(10(9)13)7-16-11-14-5-2-6-15-11/h1-6H,7H2.
What are the key properties of 2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine?
2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine has a molecular weight of 238.26 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 47124414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).