N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C12H17FIN3 — CID 110914117

IUPACN-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESFc1ccc(CCNC2=NCCCN2)cc1.I
InChIInChI=1S/C12H16FN3.HI/c13-11-4-2-10(3-5-11)6-9-16-12-14-7-1-8-15-12;/h2-5H,1,6-9H2,(H2,14,15,16);1H
InChIKeyAYLZXKATBMNWQV-UHFFFAOYSA-N
MW349.19 g/mol
LogP1.93
Rot. Bonds3

About N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 110914117) has the molecular formula C12H17FIN3 and a molecular weight of 349.19 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID110914117
Molecular FormulaC12H17FIN3
Molecular Weight349.19 g/mol
Exact Mass349.05
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESFc1ccc(CCNC2=NCCCN2)cc1.I
InChIInChI=1S/C12H16FN3.HI/c13-11-4-2-10(3-5-11)6-9-16-12-14-7-1-8-15-12;/h2-5H,1,6-9H2,(H2,14,15,16);1H
InChIKeyAYLZXKATBMNWQV-UHFFFAOYSA-N
XLogP1.93
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166241763
N-[2-(2,5-difluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111573054
N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913375
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
CID 166241988
N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601400
N-[2-(1H-pyrazol-4-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 127014926
N-[2-(3-methylphenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110917745
N-[2-(5-bromo-2-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918871
N-[(2-bromo-4-fluorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112950
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112962
N-(2-thiophen-2-ylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 51105474
N-[2-(3,5-dichlorophenyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine;hydrobromide
CID 166242003

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 110914117) is N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is Fc1ccc(CCNC2=NCCCN2)cc1.I.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is AYLZXKATBMNWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3.HI/c13-11-4-2-10(3-5-11)6-9-16-12-14-7-1-8-15-12;/h2-5H,1,6-9H2,(H2,14,15,16);1H.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 349.19 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 110914117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).