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

C13H18FN3O — CID 51131536

IUPACN-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC1CNC(=NC1)NCCCOC2=CC=C(C=C2)F
InChIInChI=1S/C13H18FN3O/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)
InChIKeyVPUGAEUZOBYKAJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.50
Rot. Bonds6

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

N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 51131536) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID51131536
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC1CNC(=NC1)NCCCOC2=CC=C(C=C2)F
InChIInChI=1S/C13H18FN3O/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)
InChIKeyVPUGAEUZOBYKAJ-UHFFFAOYSA-N
XLogP1.50
TPSA45.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity265

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Guanoxyfen
CID 13923
1,2-Bis[3-(4-fluorophenoxy)propyl]guanidine
CID 72950699
N-(2-phenoxyethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 53541642
N-[3-(4-fluorophenoxy)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 53542792
3-(4-Fluorophenoxy)-N-methyl-1-propanamine
CID 23004749
N-(3-phenoxypropyl)guanidine hydrochloride
CID 165987184
1,4,5,6-Tetrahydro-5-phenoxypyrimidine
CID 193141
Piperidinomethylphenoxypropylamine
CID 21691207
N-[3-(2-fluorophenoxy)propyl]-1-butanamine
CID 2251064
N-[3-(4-fluorophenoxy)propyl]-1-butanamine
CID 2251258
N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 51131535
N-(2-phenoxyethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75418971

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 51131536) is N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine is C1CNC(=NC1)NCCCOC2=CC=C(C=C2)F.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is VPUGAEUZOBYKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/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).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 251.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 51131536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).