4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine

C12H20FN5 — CID 15907833

IUPAC4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine
SMILESNCCCCN1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C12H20FN5/c13-11-9-15-12(16-10-11)18-7-5-17(6-8-18)4-2-1-3-14/h9-10H,1-8,14H2
InChIKeyCGQKRVPLMMUQGT-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.48
Rot. Bonds5

About 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine

4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine (PubChem CID 15907833) has the molecular formula C12H20FN5 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine
PubChem CID15907833
Molecular FormulaC12H20FN5
Molecular Weight253.32 g/mol
Exact Mass253.17
IUPAC Name4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine
SMILESNCCCCN1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C12H20FN5/c13-11-9-15-12(16-10-11)18-7-5-17(6-8-18)4-2-1-3-14/h9-10H,1-8,14H2
InChIKeyCGQKRVPLMMUQGT-UHFFFAOYSA-N
XLogP0.48
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine (CID 15907833) is 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine is NCCCCN1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine?
The InChIKey is CGQKRVPLMMUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN5/c13-11-9-15-12(16-10-11)18-7-5-17(6-8-18)4-2-1-3-14/h9-10H,1-8,14H2.
What are the key properties of 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine?
4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine has a molecular weight of 253.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 15907833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).