5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine

C18H11FN2S — CID 154723285

IUPAC5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine
SMILESFc1ccccc1-c1sc2ccccc2c1-c1cncnc1
InChIInChI=1S/C18H11FN2S/c19-15-7-3-1-5-13(15)18-17(12-9-20-11-21-10-12)14-6-2-4-8-16(14)22-18/h1-11H
InChIKeyQSPUUZDWZNLUDP-UHFFFAOYSA-N
MW306.37 g/mol
LogP5.16
Rot. Bonds2

About 5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine

5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine (PubChem CID 154723285) has the molecular formula C18H11FN2S and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine
PubChem CID154723285
Molecular FormulaC18H11FN2S
Molecular Weight306.37 g/mol
Exact Mass306.06
IUPAC Name5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine
SMILESFc1ccccc1-c1sc2ccccc2c1-c1cncnc1
InChIInChI=1S/C18H11FN2S/c19-15-7-3-1-5-13(15)18-17(12-9-20-11-21-10-12)14-6-2-4-8-16(14)22-18/h1-11H
InChIKeyQSPUUZDWZNLUDP-UHFFFAOYSA-N
XLogP5.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474
N,N-diethyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 705965
4-(5-Benzyl-3-methylbenzo[b]thiophen-2-yl)pyrimidin-2-amine
CID 24878396
2-N-(1-benzothiophen-2-ylmethyl)-2-N-methylpyrimido[4,5-d]pyrimidine-2,5,7-triamine
CID 24896805
4-[5-(1-Aminobutyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
CID 46889390
6-fluoro-2-(pyrimidin-5-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137661930
1-{6-Phenylthieno[2,3-d]pyrimidin-4-yl}piperidine
CID 853253
4-[(4-Fluorobenzyl)thio]-5-phenylthieno[2,3-d]pyrimidine
CID 1191721
N-(thiophen-2-ylmethyl)-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3233382
4-[5-[Amino-(3-methylphenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
CID 46889386
4-[5-[Amino(phenyl)methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
CID 46889387
4-[5-(1-Aminopropyl)-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine
CID 46889389

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine?
The IUPAC name of 5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine (CID 154723285) is 5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine.
What is the SMILES notation for 5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine?
The canonical SMILES for 5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine is Fc1ccccc1-c1sc2ccccc2c1-c1cncnc1.
What is the InChIKey of 5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine?
The InChIKey is QSPUUZDWZNLUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2S/c19-15-7-3-1-5-13(15)18-17(12-9-20-11-21-10-12)14-6-2-4-8-16(14)22-18/h1-11H.
What are the key properties of 5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine?
5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine has a molecular weight of 306.37 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)-1-benzothiophen-3-yl]pyrimidine is sourced from PubChem (CID 154723285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).