N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C13H17FIN3 — CID 122125608

IUPACN-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESFC1(c2ccccc2)CC1NC1=NCCCN1.I
InChIInChI=1S/C13H16FN3.HI/c14-13(10-5-2-1-3-6-10)9-11(13)17-12-15-7-4-8-16-12;/h1-3,5-6,11H,4,7-9H2,(H2,15,16,17);1H
InChIKeySWEUPFUVAOLGPL-UHFFFAOYSA-N
MW361.20 g/mol
LogP2.18
Rot. Bonds2

About N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 122125608) has the molecular formula C13H17FIN3 and a molecular weight of 361.20 g/mol. Its IUPAC name is N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID122125608
Molecular FormulaC13H17FIN3
Molecular Weight361.20 g/mol
Exact Mass361.05
IUPAC NameN-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESFC1(c2ccccc2)CC1NC1=NCCCN1.I
InChIInChI=1S/C13H16FN3.HI/c14-13(10-5-2-1-3-6-10)9-11(13)17-12-15-7-4-8-16-12;/h1-3,5-6,11H,4,7-9H2,(H2,15,16,17);1H
InChIKeySWEUPFUVAOLGPL-UHFFFAOYSA-N
XLogP2.18
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 122125608) is N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is FC1(c2ccccc2)CC1NC1=NCCCN1.I.
What is the InChIKey of N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is SWEUPFUVAOLGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3.HI/c14-13(10-5-2-1-3-6-10)9-11(13)17-12-15-7-4-8-16-12;/h1-3,5-6,11H,4,7-9H2,(H2,15,16,17);1H.
What are the key properties of N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 361.20 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-phenylcyclopropyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 122125608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).