N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C11H20IN3O — CID 122125588

IUPACN-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESC=C[C@@H]1OCC[C@H]1CNC1=NCCCN1.I
InChIInChI=1S/C11H19N3O.HI/c1-2-10-9(4-7-15-10)8-14-11-12-5-3-6-13-11;/h2,9-10H,1,3-8H2,(H2,12,13,14);1H/t9-,10-;/m0./s1
InChIKeyXPJJQEMKTOLBOK-IYPAPVHQSA-N
MW337.21 g/mol
LogP1.13
Rot. Bonds3

About N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 122125588) has the molecular formula C11H20IN3O and a molecular weight of 337.21 g/mol. Its IUPAC name is N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID122125588
Molecular FormulaC11H20IN3O
Molecular Weight337.21 g/mol
Exact Mass337.07
IUPAC NameN-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESC=C[C@@H]1OCC[C@H]1CNC1=NCCCN1.I
InChIInChI=1S/C11H19N3O.HI/c1-2-10-9(4-7-15-10)8-14-11-12-5-3-6-13-11;/h2,9-10H,1,3-8H2,(H2,12,13,14);1H/t9-,10-;/m0./s1
InChIKeyXPJJQEMKTOLBOK-IYPAPVHQSA-N
XLogP1.13
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-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-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 122125588) is N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is C=C[C@@H]1OCC[C@H]1CNC1=NCCCN1.I.
What is the InChIKey of N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is XPJJQEMKTOLBOK-IYPAPVHQSA-N. The full InChI is InChI=1S/C11H19N3O.HI/c1-2-10-9(4-7-15-10)8-14-11-12-5-3-6-13-11;/h2,9-10H,1,3-8H2,(H2,12,13,14);1H/t9-,10-;/m0./s1.
What are the key properties of N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 337.21 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 122125588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).