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

C20H17FN4OS — CID 67381980

IUPAC2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol
SMILESOCCc1nc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1
InChIInChI=1S/C20H17FN4OS/c21-14-6-4-13(5-7-14)16-12-27-20-18(16)19(24-17(25-20)8-10-26)23-11-15-3-1-2-9-22-15/h1-7,9,12,26H,8,10-11H2,(H,23,24,25)
InChIKeyRZPGBFTVSPFZHU-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.04
Rot. Bonds6

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

2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol (PubChem CID 67381980) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol
PubChem CID67381980
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol
SMILESOCCc1nc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1
InChIInChI=1S/C20H17FN4OS/c21-14-6-4-13(5-7-14)16-12-27-20-18(16)19(24-17(25-20)8-10-26)23-11-15-3-1-2-9-22-15/h1-7,9,12,26H,8,10-11H2,(H,23,24,25)
InChIKeyRZPGBFTVSPFZHU-UHFFFAOYSA-N
XLogP4.04
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.04
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)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol?
The IUPAC name of 2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol (CID 67381980) is 2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol is OCCc1nc(NCc2ccccn2)c2c(-c3ccc(F)cc3)csc2n1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol?
The InChIKey is RZPGBFTVSPFZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c21-14-6-4-13(5-7-14)16-12-27-20-18(16)19(24-17(25-20)8-10-26)23-11-15-3-1-2-9-22-15/h1-7,9,12,26H,8,10-11H2,(H,23,24,25).
What are the key properties of 2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol?
2-[5-(4-fluorophenyl)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol has a molecular weight of 380.45 g/mol, XLogP of 4.04, 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)-4-(pyridin-2-ylmethylamino)thieno[2,3-d]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 67381980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).