N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C13H19FIN3O — CID 51131535

IUPACN-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESFc1ccc(OCCCNC2=NCCCN2)cc1.I
InChIInChI=1S/C13H18FN3O.HI/c14-11-3-5-12(6-4-11)18-10-2-9-17-13-15-7-1-8-16-13;/h3-6H,1-2,7-10H2,(H2,15,16,17);1H
InChIKeyHFWSBEQYTQGICY-UHFFFAOYSA-N
MW379.22 g/mol
LogP2.15
Rot. Bonds5

About N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 51131535) has the molecular formula C13H19FIN3O and a molecular weight of 379.22 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID51131535
Molecular FormulaC13H19FIN3O
Molecular Weight379.22 g/mol
Exact Mass379.06
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESFc1ccc(OCCCNC2=NCCCN2)cc1.I
InChIInChI=1S/C13H18FN3O.HI/c14-11-3-5-12(6-4-11)18-10-2-9-17-13-15-7-1-8-16-13;/h3-6H,1-2,7-10H2,(H2,15,16,17);1H
InChIKeyHFWSBEQYTQGICY-UHFFFAOYSA-N
XLogP2.15
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 51131535) is N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is Fc1ccc(OCCCNC2=NCCCN2)cc1.I.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is HFWSBEQYTQGICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O.HI/c14-11-3-5-12(6-4-11)18-10-2-9-17-13-15-7-1-8-16-13;/h3-6H,1-2,7-10H2,(H2,15,16,17);1H.
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 379.22 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 51131535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).