[1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone

C22H19FN6OS — CID 67123638

IUPAC[1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone
SMILESNc1nc(N2CCNCC2C(=O)c2ccncc2)c2cc(-c3ccc(F)cc3)sc2n1
InChIInChI=1S/C22H19FN6OS/c23-15-3-1-13(2-4-15)18-11-16-20(27-22(24)28-21(16)31-18)29-10-9-26-12-17(29)19(30)14-5-7-25-8-6-14/h1-8,11,17,26H,9-10,12H2,(H2,24,27,28)
InChIKeySKGLOPOAUKRLPI-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.14
Rot. Bonds4

About [1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone

[1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone (PubChem CID 67123638) has the molecular formula C22H19FN6OS and a molecular weight of 434.50 g/mol. Its IUPAC name is [1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone
PubChem CID67123638
Molecular FormulaC22H19FN6OS
Molecular Weight434.50 g/mol
Exact Mass434.13
IUPAC Name[1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone
SMILESNc1nc(N2CCNCC2C(=O)c2ccncc2)c2cc(-c3ccc(F)cc3)sc2n1
InChIInChI=1S/C22H19FN6OS/c23-15-3-1-13(2-4-15)18-11-16-20(27-22(24)28-21(16)31-18)29-10-9-26-12-17(29)19(30)14-5-7-25-8-6-14/h1-8,11,17,26H,9-10,12H2,(H2,24,27,28)
InChIKeySKGLOPOAUKRLPI-UHFFFAOYSA-N
XLogP3.14
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone (CID 67123638) is [1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone is Nc1nc(N2CCNCC2C(=O)c2ccncc2)c2cc(-c3ccc(F)cc3)sc2n1.
What is the InChIKey of [1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone?
The InChIKey is SKGLOPOAUKRLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6OS/c23-15-3-1-13(2-4-15)18-11-16-20(27-22(24)28-21(16)31-18)29-10-9-26-12-17(29)19(30)14-5-7-25-8-6-14/h1-8,11,17,26H,9-10,12H2,(H2,24,27,28).
What are the key properties of [1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone?
[1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone has a molecular weight of 434.50 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-6-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 67123638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).