2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide

C17H17FN4OS — CID 17437156

IUPAC2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)c1ncnc2ccsc12
InChIInChI=1S/C17H17FN4OS/c1-2-22(17-16-14(7-8-24-16)20-11-21-17)10-15(23)19-9-12-3-5-13(18)6-4-12/h3-8,11H,2,9-10H2,1H3,(H,19,23)
InChIKeyHUCJMTBLSJTNKZ-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.97
Rot. Bonds6

About 2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 17437156) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID17437156
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)c1ncnc2ccsc12
InChIInChI=1S/C17H17FN4OS/c1-2-22(17-16-14(7-8-24-16)20-11-21-17)10-15(23)19-9-12-3-5-13(18)6-4-12/h3-8,11H,2,9-10H2,1H3,(H,19,23)
InChIKeyHUCJMTBLSJTNKZ-UHFFFAOYSA-N
XLogP2.97
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 17437156) is 2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)c1ncnc2ccsc12.
What is the InChIKey of 2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is HUCJMTBLSJTNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c1-2-22(17-16-14(7-8-24-16)20-11-21-17)10-15(23)19-9-12-3-5-13(18)6-4-12/h3-8,11H,2,9-10H2,1H3,(H,19,23).
What are the key properties of 2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 344.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 17437156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).