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

C15H22IN3O — CID 120513608

IUPACN-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1ccc([C@@H]2OCC[C@H]2CNC2=NCCCN2)cc1
InChIInChI=1S/C15H21N3O.HI/c1-2-5-12(6-3-1)14-13(7-10-19-14)11-18-15-16-8-4-9-17-15;/h1-3,5-6,13-14H,4,7-11H2,(H2,16,17,18);1H/t13-,14-;/m0./s1
InChIKeyXZBBKMVDMNMIFL-IODNYQNNSA-N
MW387.27 g/mol
LogP2.32
Rot. Bonds3

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

N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 120513608) has the molecular formula C15H22IN3O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID120513608
Molecular FormulaC15H22IN3O
Molecular Weight387.27 g/mol
Exact Mass387.08
IUPAC NameN-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1ccc([C@@H]2OCC[C@H]2CNC2=NCCCN2)cc1
InChIInChI=1S/C15H21N3O.HI/c1-2-5-12(6-3-1)14-13(7-10-19-14)11-18-15-16-8-4-9-17-15;/h1-3,5-6,13-14H,4,7-11H2,(H2,16,17,18);1H/t13-,14-;/m0./s1
InChIKeyXZBBKMVDMNMIFL-IODNYQNNSA-N
XLogP2.32
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(2R,3S)-2-phenyloxolan-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

Related Compounds

N-[(2-phenyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918244
N-[(3-methyloxan-4-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 120967393
N-[(2-tert-butyloxan-3-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 111428530
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine
CID 133353384
4-ethylsulfonyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]aniline
CID 122139318
N-methyl-1-[2-(4-phenylphenyl)oxolan-3-yl]methanamine
CID 79367575
6-(4-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]pyridazin-3-amine
CID 133353321
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005258
3-cyclopropyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 129004502
(1S,5R,6R)-7,7-dimethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 129328478
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[(2-phenyloxolan-3-yl)methyl]guanidine
CID 86770914

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 120513608) is N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is I.c1ccc([C@@H]2OCC[C@H]2CNC2=NCCCN2)cc1.
What is the InChIKey of N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is XZBBKMVDMNMIFL-IODNYQNNSA-N. The full InChI is InChI=1S/C15H21N3O.HI/c1-2-5-12(6-3-1)14-13(7-10-19-14)11-18-15-16-8-4-9-17-15;/h1-3,5-6,13-14H,4,7-11H2,(H2,16,17,18);1H/t13-,14-;/m0./s1.
What are the key properties of N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 387.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 120513608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).