2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol

C21H19FN4OS — CID 67382214

IUPAC2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol
SMILESCc1sc2nc(CCO)nc(NCc3ccccn3)c2c1-c1ccc(F)cc1
InChIInChI=1S/C21H19FN4OS/c1-13-18(14-5-7-15(22)8-6-14)19-20(24-12-16-4-2-3-10-23-16)25-17(9-11-27)26-21(19)28-13/h2-8,10,27H,9,11-12H2,1H3,(H,24,25,26)
InChIKeyUOVGOIDHADCNIW-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.35
Rot. Bonds6

About 2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol

2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol (PubChem CID 67382214) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol
PubChem CID67382214
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol
SMILESCc1sc2nc(CCO)nc(NCc3ccccn3)c2c1-c1ccc(F)cc1
InChIInChI=1S/C21H19FN4OS/c1-13-18(14-5-7-15(22)8-6-14)19-20(24-12-16-4-2-3-10-23-16)25-17(9-11-27)26-21(19)28-13/h2-8,10,27H,9,11-12H2,1H3,(H,24,25,26)
InChIKeyUOVGOIDHADCNIW-UHFFFAOYSA-N
XLogP4.35
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol?
The IUPAC name of 2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol (CID 67382214) is 2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol is Cc1sc2nc(CCO)nc(NCc3ccccn3)c2c1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol?
The InChIKey is UOVGOIDHADCNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c1-13-18(14-5-7-15(22)8-6-14)19-20(24-12-16-4-2-3-10-23-16)25-17(9-11-27)26-21(19)28-13/h2-8,10,27H,9,11-12H2,1H3,(H,24,25,26).
What are the key properties of 2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol?
2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol has a molecular weight of 394.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-6-methyl-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 67382214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).