N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

C18H32IN7 — CID 119130659

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(N(C)C)CCCC1)N1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C18H31N7.HI/c1-19-16(22-15-18(23(2)3)7-4-5-8-18)24-11-13-25(14-12-24)17-20-9-6-10-21-17;/h6,9-10H,4-5,7-8,11-15H2,1-3H3,(H,19,22);1H
InChIKeyUMRMDLDNMVJDRW-UHFFFAOYSA-N
MW473.41 g/mol
LogP1.67
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide

N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 119130659) has the molecular formula C18H32IN7 and a molecular weight of 473.41 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID119130659
Molecular FormulaC18H32IN7
Molecular Weight473.41 g/mol
Exact Mass473.18
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(N(C)C)CCCC1)N1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C18H31N7.HI/c1-19-16(22-15-18(23(2)3)7-4-5-8-18)24-11-13-25(14-12-24)17-20-9-6-10-21-17;/h6,9-10H,4-5,7-8,11-15H2,1-3H3,(H,19,22);1H
InChIKeyUMRMDLDNMVJDRW-UHFFFAOYSA-N
XLogP1.67
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119155692
N-(cyclopropylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205321
N'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207593
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130625
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207923
N'-methyl-4-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119130747
N-[3-(dipropylamino)propyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111208170
N-[(4-bromophenyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111977350
N-[2-(furan-2-yl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205223
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206787
N'-methyl-4-pyrimidin-2-yl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperazine-1-carboximidamide;hydroiodide
CID 109401596
N-(3,3-diphenylpropyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207635

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 119130659) is N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC1(N(C)C)CCCC1)N1CCN(c2ncccn2)CC1.I.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is UMRMDLDNMVJDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N7.HI/c1-19-16(22-15-18(23(2)3)7-4-5-8-18)24-11-13-25(14-12-24)17-20-9-6-10-21-17;/h6,9-10H,4-5,7-8,11-15H2,1-3H3,(H,19,22);1H.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 473.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).