2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

C14H12FN3OS — CID 68790074

IUPAC2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1cc(F)ccc1-c1nc(N)c2ccsc2n1
InChIInChI=1S/C14H12FN3OS/c1-2-19-11-7-8(15)3-4-9(11)13-17-12(16)10-5-6-20-14(10)18-13/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyWELRXLMCHPZHAE-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 68790074) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID68790074
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1cc(F)ccc1-c1nc(N)c2ccsc2n1
InChIInChI=1S/C14H12FN3OS/c1-2-19-11-7-8(15)3-4-9(11)13-17-12(16)10-5-6-20-14(10)18-13/h3-7H,2H2,1H3,(H2,16,17,18)
InChIKeyWELRXLMCHPZHAE-UHFFFAOYSA-N
XLogP3.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 68790074) is 2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is CCOc1cc(F)ccc1-c1nc(N)c2ccsc2n1.
What is the InChIKey of 2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WELRXLMCHPZHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-2-19-11-7-8(15)3-4-9(11)13-17-12(16)10-5-6-20-14(10)18-13/h3-7H,2H2,1H3,(H2,16,17,18).
What are the key properties of 2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 68790074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).