2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one

C13H22FN5O — CID 136663750

IUPAC2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(CCCCCF)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H22FN5O/c14-4-2-1-3-5-18-6-8-19(9-7-18)11-10-12(20)17-13(15)16-11/h10H,1-9H2,(H3,15,16,17,20)
InChIKeyXDCYALHPPIVGLD-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.61
Rot. Bonds6

About 2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136663750) has the molecular formula C13H22FN5O and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID136663750
Molecular FormulaC13H22FN5O
Molecular Weight283.35 g/mol
Exact Mass283.18
IUPAC Name2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one
SMILESNc1nc(N2CCN(CCCCCF)CC2)cc(=O)[nH]1
InChIInChI=1S/C13H22FN5O/c14-4-2-1-3-5-18-6-8-19(9-7-18)11-10-12(20)17-13(15)16-11/h10H,1-9H2,(H3,15,16,17,20)
InChIKeyXDCYALHPPIVGLD-UHFFFAOYSA-N
XLogP0.61
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
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 2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one (CID 136663750) is 2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one is Nc1nc(N2CCN(CCCCCF)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is XDCYALHPPIVGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN5O/c14-4-2-1-3-5-18-6-8-19(9-7-18)11-10-12(20)17-13(15)16-11/h10H,1-9H2,(H3,15,16,17,20).
What are the key properties of 2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 283.35 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(5-fluoropentyl)piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136663750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).