1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine

C₈H₁₄FN₅ — CID 156761510

About 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine

1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine (PubChem CID 156761510) has the molecular formula C₈H₁₄FN₅ and a molecular weight of 199.23 g/mol. Its IUPAC name is 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine
• PubChem CID: 156761510
• Molecular Formula: C₈H₁₄FN₅
• Molecular Weight: 199.23 g/mol
• Exact Mass: 199.12
• IUPAC Name: 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine
• SMILES: NC1N=CC=C(N2CCNCC2)N1F
• InChI: InChI=1S/C8H14FN5/c9-14-7(1-2-12-8(14)10)13-5-3-11-4-6-13/h1-2,8,11H,3-6,10H2
• InChIKey: ZSOMZOYXAKNDBM-UHFFFAOYSA-N
• XLogP: -0.75
• TPSA: 56.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.23
LogP ≤ 5	-0.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine?

The IUPAC name of 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine (CID 156761510) is 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine.

What is the SMILES notation for 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine?

The canonical SMILES for 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine is NC1N=CC=C(N2CCNCC2)N1F.

What is the InChIKey of 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine?

The InChIKey is ZSOMZOYXAKNDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN5/c9-14-7(1-2-12-8(14)10)13-5-3-11-4-6-13/h1-2,8,11H,3-6,10H2.

What are the key properties of 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine?

1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine has a molecular weight of 199.23 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-6-piperazin-1-yl-2H-pyrimidin-2-amine is sourced from PubChem (CID 156761510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156761510 — identifiers, structure, computed properties (public domain)

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