6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid

C10H14FN3O2 — CID 104605839

IUPAC6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1ncc(F)cn1
InChIInChI=1S/C10H14FN3O2/c11-8-6-13-10(14-7-8)12-5-3-1-2-4-9(15)16/h6-7H,1-5H2,(H,15,16)(H,12,13,14)
InChIKeyPTLRIGYMWGNRLW-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.67
Rot. Bonds7

About 6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid

6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid (PubChem CID 104605839) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid
PubChem CID104605839
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid
SMILESO=C(O)CCCCCNc1ncc(F)cn1
InChIInChI=1S/C10H14FN3O2/c11-8-6-13-10(14-7-8)12-5-3-1-2-4-9(15)16/h6-7H,1-5H2,(H,15,16)(H,12,13,14)
InChIKeyPTLRIGYMWGNRLW-UHFFFAOYSA-N
XLogP1.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
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 6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid?
The IUPAC name of 6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid (CID 104605839) is 6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid is O=C(O)CCCCCNc1ncc(F)cn1.
What is the InChIKey of 6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid?
The InChIKey is PTLRIGYMWGNRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-8-6-13-10(14-7-8)12-5-3-1-2-4-9(15)16/h6-7H,1-5H2,(H,15,16)(H,12,13,14).
What are the key properties of 6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid?
6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid has a molecular weight of 227.24 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoropyrimidin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 104605839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).