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

C15H25IN6O — CID 119155692

IUPACN-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(O)CCC1)N1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C15H24N6O.HI/c1-16-13(19-12-15(22)4-2-5-15)20-8-10-21(11-9-20)14-17-6-3-7-18-14;/h3,6-7,22H,2,4-5,8-12H2,1H3,(H,16,19);1H
InChIKeySKCRXWBDIVQFBZ-UHFFFAOYSA-N
MW432.31 g/mol
LogP0.71
Rot. Bonds3

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

N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 119155692) has the molecular formula C15H25IN6O and a molecular weight of 432.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
PubChem CID119155692
Molecular FormulaC15H25IN6O
Molecular Weight432.31 g/mol
Exact Mass432.11
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCC1(O)CCC1)N1CCN(c2ncccn2)CC1.I
InChIInChI=1S/C15H24N6O.HI/c1-16-13(19-12-15(22)4-2-5-15)20-8-10-21(11-9-20)14-17-6-3-7-18-14;/h3,6-7,22H,2,4-5,8-12H2,1H3,(H,16,19);1H
InChIKeySKCRXWBDIVQFBZ-UHFFFAOYSA-N
XLogP0.71
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
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-(dimethylamino)cyclopentyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119130659
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206787
N-(cyclopropylmethyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205321
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-(3,3-diphenylpropyl)-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207635
N'-methyl-N-[(1-methylpyrrol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119154691
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206023
N-[2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111206186
N'-methyl-N-[(4-methylcyclohexyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205460
2-[[N-methyl-C-(4-pyrimidin-2-ylpiperazin-1-yl)carbonimidoyl]amino]-N-phenylacetamide
CID 111205580

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide (CID 119155692) is N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is C/N=C(\NCC1(O)CCC1)N1CCN(c2ncccn2)CC1.I.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is SKCRXWBDIVQFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O.HI/c1-16-13(19-12-15(22)4-2-5-15)20-8-10-21(11-9-20)14-17-6-3-7-18-14;/h3,6-7,22H,2,4-5,8-12H2,1H3,(H,16,19);1H.
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide?
N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 432.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119155692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).