N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

C18H33IN8 — CID 111207593

IUPACN'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)N1CCN(C)CC1)N1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C18H32N8.HI/c1-16(24-9-7-23(3)8-10-24)15-22-17(19-2)25-11-13-26(14-12-25)18-20-5-4-6-21-18;/h4-6,16H,7-15H2,1-3H3,(H,19,22);1H
InChIKeyWIADLYJWWZBQBJ-UHFFFAOYSA-N
MW488.42 g/mol
LogP0.43
Rot. Bonds4

About N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111207593) has the molecular formula C18H33IN8 and a molecular weight of 488.42 g/mol. Its IUPAC name is N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID111207593
Molecular FormulaC18H33IN8
Molecular Weight488.42 g/mol
Exact Mass488.19
IUPAC NameN'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC(C)N1CCN(C)CC1)N1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C18H32N8.HI/c1-16(24-9-7-23(3)8-10-24)15-22-17(19-2)25-11-13-26(14-12-25)18-20-5-4-6-21-18;/h4-6,16H,7-15H2,1-3H3,(H,19,22);1H
InChIKeyWIADLYJWWZBQBJ-UHFFFAOYSA-N
XLogP0.43
TPSA63.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.42
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;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-(2,3-dihydroindol-1-yl)propyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206639
N-(3,3-diphenylpropyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207635
N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130659
N-(cyclopropylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205321
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111219158
N'-methyl-4-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119130747
N'-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205687
N'-methyl-N-(2-morpholin-4-yl-2-phenylethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207894
N'-methyl-N-(3-propan-2-yloxypropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206490
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119154691
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111206186
N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119155692

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 111207593) is N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC(C)N1CCN(C)CC1)N1CCN(c2ncccn2)CC1.I.
What is the InChIKey of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is WIADLYJWWZBQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N8.HI/c1-16(24-9-7-23(3)8-10-24)15-22-17(19-2)25-11-13-26(14-12-25)18-20-5-4-6-21-18;/h4-6,16H,7-15H2,1-3H3,(H,19,22);1H.
What are the key properties of N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 488.42 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111207593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).