5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine

C22H24F2N4 — CID 15729905

IUPAC5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine
SMILESFc1cnc(N2CCN(CCCCc3ccc(F)c4ccccc34)CC2)nc1
InChIInChI=1S/C22H24F2N4/c23-18-15-25-22(26-16-18)28-13-11-27(12-14-28)10-4-3-5-17-8-9-21(24)20-7-2-1-6-19(17)20/h1-2,6-9,15-16H,3-5,10-14H2
InChIKeyCREVRAFFOUPVBT-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.05
Rot. Bonds6

About 5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine

5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine (PubChem CID 15729905) has the molecular formula C22H24F2N4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine
PubChem CID15729905
Molecular FormulaC22H24F2N4
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine
SMILESFc1cnc(N2CCN(CCCCc3ccc(F)c4ccccc34)CC2)nc1
InChIInChI=1S/C22H24F2N4/c23-18-15-25-22(26-16-18)28-13-11-27(12-14-28)10-4-3-5-17-8-9-21(24)20-7-2-1-6-19(17)20/h1-2,6-9,15-16H,3-5,10-14H2
InChIKeyCREVRAFFOUPVBT-UHFFFAOYSA-N
XLogP4.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine (CID 15729905) is 5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine is Fc1cnc(N2CCN(CCCCc3ccc(F)c4ccccc34)CC2)nc1.
What is the InChIKey of 5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine?
The InChIKey is CREVRAFFOUPVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4/c23-18-15-25-22(26-16-18)28-13-11-27(12-14-28)10-4-3-5-17-8-9-21(24)20-7-2-1-6-19(17)20/h1-2,6-9,15-16H,3-5,10-14H2.
What are the key properties of 5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine?
5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine has a molecular weight of 382.46 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[4-(4-fluoronaphthalen-1-yl)butyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 15729905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).