N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide

C13H22N6O — CID 43175017

IUPACN'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H22N6O/c1-2-11(10-12(14)17-20)18-6-8-19(9-7-18)13-15-4-3-5-16-13/h3-5,11,20H,2,6-10H2,1H3,(H2,14,17)
InChIKeyLZEDUMHWLSFUPO-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.51
Rot. Bonds5

About N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide

N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide (PubChem CID 43175017) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
PubChem CID43175017
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC NameN'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H22N6O/c1-2-11(10-12(14)17-20)18-6-8-19(9-7-18)13-15-4-3-5-16-13/h3-5,11,20H,2,6-10H2,1H3,(H2,14,17)
InChIKeyLZEDUMHWLSFUPO-UHFFFAOYSA-N
XLogP0.51
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
CID 66428194
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455
N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide
CID 55166764
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151
N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073341
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 77000767
N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide
CID 97357761
1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
CID 70202660
methyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 43537360

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide (CID 43175017) is N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide is CCC(C/C(N)=N/O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide?
The InChIKey is LZEDUMHWLSFUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-2-11(10-12(14)17-20)18-6-8-19(9-7-18)13-15-4-3-5-16-13/h3-5,11,20H,2,6-10H2,1H3,(H2,14,17).
What are the key properties of N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide?
N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide has a molecular weight of 278.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide is sourced from PubChem (CID 43175017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).