2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine

C13H14N6O2 — CID 2848745

IUPAC2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C13H14N6O2/c20-19(21)11-2-3-12(16-10-11)17-6-8-18(9-7-17)13-14-4-1-5-15-13/h1-5,10H,6-9H2
InChIKeyHODRSYBSOZPUFX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.11
Rot. Bonds3

About 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine

2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine (PubChem CID 2848745) has the molecular formula C13H14N6O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine
PubChem CID2848745
Molecular FormulaC13H14N6O2
Molecular Weight286.29 g/mol
Exact Mass286.12
IUPAC Name2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C13H14N6O2/c20-19(21)11-2-3-12(16-10-11)17-6-8-18(9-7-17)13-14-4-1-5-15-13/h1-5,10H,6-9H2
InChIKeyHODRSYBSOZPUFX-UHFFFAOYSA-N
XLogP1.11
TPSA88.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine (CID 2848745) is 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine is O=[N+]([O-])c1ccc(N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine?
The InChIKey is HODRSYBSOZPUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c20-19(21)11-2-3-12(16-10-11)17-6-8-18(9-7-17)13-14-4-1-5-15-13/h1-5,10H,6-9H2.
What are the key properties of 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine?
2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine has a molecular weight of 286.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 2848745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).