4-(5-fluoropyrimidin-2-yl)butan-1-amine

C8H12FN3 — CID 57123033

IUPAC4-(5-fluoropyrimidin-2-yl)butan-1-amine
SMILESNCCCCc1ncc(F)cn1
InChIInChI=1S/C8H12FN3/c9-7-5-11-8(12-6-7)3-1-2-4-10/h5-6H,1-4,10H2
InChIKeyZGSJOSUPFVRQLG-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.90
Rot. Bonds4

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

4-(5-fluoropyrimidin-2-yl)butan-1-amine (PubChem CID 57123033) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)butan-1-amine
PubChem CID57123033
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name4-(5-fluoropyrimidin-2-yl)butan-1-amine
SMILESNCCCCc1ncc(F)cn1
InChIInChI=1S/C8H12FN3/c9-7-5-11-8(12-6-7)3-1-2-4-10/h5-6H,1-4,10H2
InChIKeyZGSJOSUPFVRQLG-UHFFFAOYSA-N
XLogP0.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-fluoropyrimidin-2-yl)butan-1-amine?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)butan-1-amine (CID 57123033) is 4-(5-fluoropyrimidin-2-yl)butan-1-amine.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)butan-1-amine?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)butan-1-amine is NCCCCc1ncc(F)cn1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)butan-1-amine?
The InChIKey is ZGSJOSUPFVRQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c9-7-5-11-8(12-6-7)3-1-2-4-10/h5-6H,1-4,10H2.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)butan-1-amine?
4-(5-fluoropyrimidin-2-yl)butan-1-amine has a molecular weight of 169.20 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)butan-1-amine is sourced from PubChem (CID 57123033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).