2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine

C13H14FN5 — CID 61229554

IUPAC2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESFc1cccc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C13H14FN5/c14-11-3-1-4-12(17-11)18-7-9-19(10-8-18)13-15-5-2-6-16-13/h1-6H,7-10H2
InChIKeyQTRAVLRUNXOAMK-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.34
Rot. Bonds2

About 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine

2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine (PubChem CID 61229554) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
PubChem CID61229554
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC Name2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESFc1cccc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C13H14FN5/c14-11-3-1-4-12(17-11)18-7-9-19(10-8-18)13-15-5-2-6-16-13/h1-6H,7-10H2
InChIKeyQTRAVLRUNXOAMK-UHFFFAOYSA-N
XLogP1.34
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 171998892
[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62300156
[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanol
CID 62253382
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
1-(6-fluoro-2-pyridinyl)-4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 171999708
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-N,N-dimethylethanamine
CID 55128004
N-(3-fluorophenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898966
2-fluoro-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyridine
CID 133349592
1-(6-fluoro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106670856

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine (CID 61229554) is 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine is Fc1cccc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine?
The InChIKey is QTRAVLRUNXOAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c14-11-3-1-4-12(17-11)18-7-9-19(10-8-18)13-15-5-2-6-16-13/h1-6H,7-10H2.
What are the key properties of 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine?
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine has a molecular weight of 259.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 61229554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).