N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

C16H22IN5 — CID 111912600

IUPACN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1ccc(CCn2ccnc2CNC2=NCCCN2)cc1
InChIInChI=1S/C16H21N5.HI/c1-2-5-14(6-3-1)7-11-21-12-10-17-15(21)13-20-16-18-8-4-9-19-16;/h1-3,5-6,10,12H,4,7-9,11,13H2,(H2,18,19,20);1H
InChIKeyKZSUQTYMHNDSAD-UHFFFAOYSA-N
MW411.29 g/mol
LogP2.18
Rot. Bonds5

About N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide

N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (PubChem CID 111912600) has the molecular formula C16H22IN5 and a molecular weight of 411.29 g/mol. Its IUPAC name is N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
PubChem CID111912600
Molecular FormulaC16H22IN5
Molecular Weight411.29 g/mol
Exact Mass411.09
IUPAC NameN-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
SMILESI.c1ccc(CCn2ccnc2CNC2=NCCCN2)cc1
InChIInChI=1S/C16H21N5.HI/c1-2-5-14(6-3-1)7-11-21-12-10-17-15(21)13-20-16-18-8-4-9-19-16;/h1-3,5-6,10,12H,4,7-9,11,13H2,(H2,18,19,20);1H
InChIKeyKZSUQTYMHNDSAD-UHFFFAOYSA-N
XLogP2.18
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
1-[(3R)-2-oxopiperidin-3-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 96990226
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915521
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119898701
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 166249976
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915826
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913867
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The IUPAC name of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide (CID 111912600) is N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is I.c1ccc(CCn2ccnc2CNC2=NCCCN2)cc1.
What is the InChIKey of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
The InChIKey is KZSUQTYMHNDSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5.HI/c1-2-5-14(6-3-1)7-11-21-12-10-17-15(21)13-20-16-18-8-4-9-19-16;/h1-3,5-6,10,12H,4,7-9,11,13H2,(H2,18,19,20);1H.
What are the key properties of N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide?
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide has a molecular weight of 411.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 111912600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).