2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C17H17FN4OS — CID 45278537

IUPAC2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc2sc(CN3CCOCC3)cc12
InChIInChI=1S/C17H17FN4OS/c18-12-3-1-2-11(8-12)16-20-15(19)14-9-13(24-17(14)21-16)10-22-4-6-23-7-5-22/h1-3,8-9H,4-7,10H2,(H2,19,20,21)
InChIKeyJSPLCLKAKPTMCQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.91
Rot. Bonds3

About 2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 45278537) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID45278537
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC Name2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc2sc(CN3CCOCC3)cc12
InChIInChI=1S/C17H17FN4OS/c18-12-3-1-2-11(8-12)16-20-15(19)14-9-13(24-17(14)21-16)10-22-4-6-23-7-5-22/h1-3,8-9H,4-7,10H2,(H2,19,20,21)
InChIKeyJSPLCLKAKPTMCQ-UHFFFAOYSA-N
XLogP2.91
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 45278537) is 2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(-c2cccc(F)c2)nc2sc(CN3CCOCC3)cc12.
What is the InChIKey of 2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JSPLCLKAKPTMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c18-12-3-1-2-11(8-12)16-20-15(19)14-9-13(24-17(14)21-16)10-22-4-6-23-7-5-22/h1-3,8-9H,4-7,10H2,(H2,19,20,21).
What are the key properties of 2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 344.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 45278537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).