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

C11H20ClN5O — CID 140842956

IUPACN'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
SMILESCC1CN=C(/N=C(/N)N2CCCCC2)NC1=O.Cl
InChIInChI=1S/C11H19N5O.ClH/c1-8-7-13-11(14-9(8)17)15-10(12)16-5-3-2-4-6-16;/h8H,2-7H2,1H3,(H3,12,13,14,15,17);1H
InChIKeyWCGPDNMYHLRBCZ-UHFFFAOYSA-N
MW273.77 g/mol
LogP0.33
Rot. Bonds

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

N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride (PubChem CID 140842956) has the molecular formula C11H20ClN5O and a molecular weight of 273.77 g/mol. Its IUPAC name is N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
PubChem CID140842956
Molecular FormulaC11H20ClN5O
Molecular Weight273.77 g/mol
Exact Mass273.14
IUPAC NameN'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
SMILESCC1CN=C(/N=C(/N)N2CCCCC2)NC1=O.Cl
InChIInChI=1S/C11H19N5O.ClH/c1-8-7-13-11(14-9(8)17)15-10(12)16-5-3-2-4-6-16;/h8H,2-7H2,1H3,(H3,12,13,14,15,17);1H
InChIKeyWCGPDNMYHLRBCZ-UHFFFAOYSA-N
XLogP0.33
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 50.33
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'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride (CID 140842956) is N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride is CC1CN=C(/N=C(/N)N2CCCCC2)NC1=O.Cl.
What is the InChIKey of N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The InChIKey is WCGPDNMYHLRBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O.ClH/c1-8-7-13-11(14-9(8)17)15-10(12)16-5-3-2-4-6-16;/h8H,2-7H2,1H3,(H3,12,13,14,15,17);1H.
What are the key properties of N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride has a molecular weight of 273.77 g/mol, XLogP of 0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 140842956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).