5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C15H14ClFN4OS — CID 58629075

IUPAC5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2scc(Cl)c12)c1ccc(OCCF)nc1
InChIInChI=1S/C15H14ClFN4OS/c1-9(10-2-3-12(18-6-10)22-5-4-17)21-14-13-11(16)7-23-15(13)20-8-19-14/h2-3,6-9H,4-5H2,1H3,(H,19,20,21)
InChIKeyBMJJUKDAYFIZGE-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.26
Rot. Bonds6

About 5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 58629075) has the molecular formula C15H14ClFN4OS and a molecular weight of 352.82 g/mol. Its IUPAC name is 5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID58629075
Molecular FormulaC15H14ClFN4OS
Molecular Weight352.82 g/mol
Exact Mass352.06
IUPAC Name5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2scc(Cl)c12)c1ccc(OCCF)nc1
InChIInChI=1S/C15H14ClFN4OS/c1-9(10-2-3-12(18-6-10)22-5-4-17)21-14-13-11(16)7-23-15(13)20-8-19-14/h2-3,6-9H,4-5H2,1H3,(H,19,20,21)
InChIKeyBMJJUKDAYFIZGE-UHFFFAOYSA-N
XLogP4.26
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 58629075) is 5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is CC(Nc1ncnc2scc(Cl)c12)c1ccc(OCCF)nc1.
What is the InChIKey of 5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BMJJUKDAYFIZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN4OS/c1-9(10-2-3-12(18-6-10)22-5-4-17)21-14-13-11(16)7-23-15(13)20-8-19-14/h2-3,6-9H,4-5H2,1H3,(H,19,20,21).
What are the key properties of 5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 352.82 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[6-(2-fluoroethoxy)-3-pyridinyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58629075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).