1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide

C14H24IN7 — CID 120969980

IUPAC1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCCN1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C14H23N7.HI/c1-19-7-5-17-13(19)18-6-8-20-9-11-21(12-10-20)14-15-3-2-4-16-14;/h2-4H,5-12H2,1H3,(H,17,18);1H
InChIKeyVMDIGBJGUGHOSS-UHFFFAOYSA-N
MW417.30 g/mol
LogP0.11
Rot. Bonds4

About 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide

1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120969980) has the molecular formula C14H24IN7 and a molecular weight of 417.30 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120969980
Molecular FormulaC14H24IN7
Molecular Weight417.30 g/mol
Exact Mass417.11
IUPAC Name1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCCN1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C14H23N7.HI/c1-19-7-5-17-13(19)18-6-8-20-9-11-21(12-10-20)14-15-3-2-4-16-14;/h2-4H,5-12H2,1H3,(H,17,18);1H
InChIKeyVMDIGBJGUGHOSS-UHFFFAOYSA-N
XLogP0.11
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine
CID 120969981
N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969888
1-methyl-N-(2-piperidin-1-ylethyl)-4,5-dihydroimidazol-2-amine
CID 120969301
N-[2-(azepan-1-yl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969889
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
CID 62575755
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 62575110
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
1,1,3,3-tetramethyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111062122
6-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]pyridine-3-carbonitrile
CID 56815524
5,6-dimethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 55830573
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120969980) is 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCCN1CCN(c2ncccn2)CC1.I.
What is the InChIKey of 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is VMDIGBJGUGHOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7.HI/c1-19-7-5-17-13(19)18-6-8-20-9-11-21(12-10-20)14-15-3-2-4-16-14;/h2-4H,5-12H2,1H3,(H,17,18);1H.
What are the key properties of 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 417.30 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).