2-[(4-fluorophenyl)methylsulfanyl]pyrimidine

C11H9FN2S — CID 893419

IUPAC2-[(4-fluorophenyl)methylsulfanyl]pyrimidine
SMILESFc1ccc(CSc2ncccn2)cc1
InChIInChI=1S/C11H9FN2S/c12-10-4-2-9(3-5-10)8-15-11-13-6-1-7-14-11/h1-7H,8H2
InChIKeyDBYUBQLTSQPTNM-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.91
Rot. Bonds3

About 2-[(4-fluorophenyl)methylsulfanyl]pyrimidine

2-[(4-fluorophenyl)methylsulfanyl]pyrimidine (PubChem CID 893419) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]pyrimidine
PubChem CID893419
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]pyrimidine
SMILESFc1ccc(CSc2ncccn2)cc1
InChIInChI=1S/C11H9FN2S/c12-10-4-2-9(3-5-10)8-15-11-13-6-1-7-14-11/h1-7H,8H2
InChIKeyDBYUBQLTSQPTNM-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Phenylethynyl)pyrimidine
CID 4074142
2-(Benzylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 14155083
Tasuldine
CID 65666
2-(Phenylethynyl)pyrimidine
CID 12490583
(4~{s},6~{s})-4-[2,4-Bis(Fluoranyl)phenyl]-4-Methyl-6-Pyrimidin-5-Yl-5,6-Dihydro-1,3-Thiazin-2-Amine
CID 90253396
4-(Pyrimidin-2-ylsulfanylmethyl)-benzonitrile
CID 686436
2-({2-[(4-Methylphenyl)thio]ethyl}thio)pyrimidine
CID 2948897
2-[(4-Fluorobenzyl)sulfanyl]-4,6-dimethylpyrimidine
CID 823852
2-(Benzylsulfanyl)-4-pyrimidinecarbaldehyde oxime
CID 135545034
N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 462458
2-(Benzylthio)-4,6-pyrimidinediamine
CID 675042
2-(Methylsulfanyl)-5-phenylpyrimidine
CID 608704

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]pyrimidine?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]pyrimidine (CID 893419) is 2-[(4-fluorophenyl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]pyrimidine?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]pyrimidine is Fc1ccc(CSc2ncccn2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]pyrimidine?
The InChIKey is DBYUBQLTSQPTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2S/c12-10-4-2-9(3-5-10)8-15-11-13-6-1-7-14-11/h1-7H,8H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]pyrimidine?
2-[(4-fluorophenyl)methylsulfanyl]pyrimidine has a molecular weight of 220.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 893419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).