2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine

C15H13FN2O2S — CID 46947546

IUPAC2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine
SMILESCOc1ccc2cc(-c3ccnc(OCCF)n3)sc2c1
InChIInChI=1S/C15H13FN2O2S/c1-19-11-3-2-10-8-14(21-13(10)9-11)12-4-6-17-15(18-12)20-7-5-16/h2-4,6,8-9H,5,7H2,1H3
InChIKeyIZGFWLZNXMFENT-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.72
Rot. Bonds5

About 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine

2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine (PubChem CID 46947546) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine
PubChem CID46947546
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine
SMILESCOc1ccc2cc(-c3ccnc(OCCF)n3)sc2c1
InChIInChI=1S/C15H13FN2O2S/c1-19-11-3-2-10-8-14(21-13(10)9-11)12-4-6-17-15(18-12)20-7-5-16/h2-4,6,8-9H,5,7H2,1H3
InChIKeyIZGFWLZNXMFENT-UHFFFAOYSA-N
XLogP3.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine?
The IUPAC name of 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine (CID 46947546) is 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine.
What is the SMILES notation for 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine?
The canonical SMILES for 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine is COc1ccc2cc(-c3ccnc(OCCF)n3)sc2c1.
What is the InChIKey of 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine?
The InChIKey is IZGFWLZNXMFENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-19-11-3-2-10-8-14(21-13(10)9-11)12-4-6-17-15(18-12)20-7-5-16/h2-4,6,8-9H,5,7H2,1H3.
What are the key properties of 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine?
2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine has a molecular weight of 304.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-4-(6-methoxy-1-benzothiophen-2-yl)pyrimidine is sourced from PubChem (CID 46947546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).