N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride

C10H18ClN5O — CID 140842939

IUPACN'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
SMILESCl.N/C(=N/C1=NCCC(=O)N1)N1CCCCC1
InChIInChI=1S/C10H17N5O.ClH/c11-9(15-6-2-1-3-7-15)14-10-12-5-4-8(16)13-10;/h1-7H2,(H3,11,12,13,14,16);1H
InChIKeyGRCIEYFLRSTGOP-UHFFFAOYSA-N
MW259.74 g/mol
LogP0.08
Rot. Bonds

About N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride

N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride (PubChem CID 140842939) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
PubChem CID140842939
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC NameN'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
SMILESCl.N/C(=N/C1=NCCC(=O)N1)N1CCCCC1
InChIInChI=1S/C10H17N5O.ClH/c11-9(15-6-2-1-3-7-15)14-10-12-5-4-8(16)13-10;/h1-7H2,(H3,11,12,13,14,16);1H
InChIKeyGRCIEYFLRSTGOP-UHFFFAOYSA-N
XLogP0.08
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride (CID 140842939) is N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride is Cl.N/C(=N/C1=NCCC(=O)N1)N1CCCCC1.
What is the InChIKey of N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The InChIKey is GRCIEYFLRSTGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O.ClH/c11-9(15-6-2-1-3-7-15)14-10-12-5-4-8(16)13-10;/h1-7H2,(H3,11,12,13,14,16);1H.
What are the key properties of N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 140842939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).