5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine

C21H19FN8 — CID 166629558

IUPAC5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2nccnc2c1
InChIInChI=1S/C21H19FN8/c22-16-13-27-21(28-19-4-2-15(12-26-19)30-9-7-23-8-10-30)29-20(16)14-1-3-17-18(11-14)25-6-5-24-17/h1-6,11-13,23H,7-10H2,(H,26,27,28,29)
InChIKeyIRQBQPNOWKSJBR-UHFFFAOYSA-N
MW402.44 g/mol
LogP2.77
Rot. Bonds4

About 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine

5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine (PubChem CID 166629558) has the molecular formula C21H19FN8 and a molecular weight of 402.44 g/mol. Its IUPAC name is 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine
PubChem CID166629558
Molecular FormulaC21H19FN8
Molecular Weight402.44 g/mol
Exact Mass402.17
IUPAC Name5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2nccnc2c1
InChIInChI=1S/C21H19FN8/c22-16-13-27-21(28-19-4-2-15(12-26-19)30-9-7-23-8-10-30)29-20(16)14-1-3-17-18(11-14)25-6-5-24-17/h1-6,11-13,23H,7-10H2,(H,26,27,28,29)
InChIKeyIRQBQPNOWKSJBR-UHFFFAOYSA-N
XLogP2.77
TPSA91.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine (CID 166629558) is 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine is Fc1cnc(Nc2ccc(N3CCNCC3)cn2)nc1-c1ccc2nccnc2c1.
What is the InChIKey of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine?
The InChIKey is IRQBQPNOWKSJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8/c22-16-13-27-21(28-19-4-2-15(12-26-19)30-9-7-23-8-10-30)29-20(16)14-1-3-17-18(11-14)25-6-5-24-17/h1-6,11-13,23H,7-10H2,(H,26,27,28,29).
What are the key properties of 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine?
5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine has a molecular weight of 402.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)-4-quinoxalin-6-ylpyrimidin-2-amine is sourced from PubChem (CID 166629558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).