N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride

C12H22ClN5O — CID 140842936

IUPACN'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
SMILESCC1(C)CC(=O)NC(/N=C(/N)N2CCCCC2)=N1.Cl
InChIInChI=1S/C12H21N5O.ClH/c1-12(2)8-9(18)14-11(16-12)15-10(13)17-6-4-3-5-7-17;/h3-8H2,1-2H3,(H3,13,14,15,16,18);1H
InChIKeyLEDPBJDUZVLRKC-UHFFFAOYSA-N
MW287.80 g/mol
LogP0.86
Rot. Bonds

About N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride

N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride (PubChem CID 140842936) has the molecular formula C12H22ClN5O and a molecular weight of 287.80 g/mol. Its IUPAC name is N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
PubChem CID140842936
Molecular FormulaC12H22ClN5O
Molecular Weight287.80 g/mol
Exact Mass287.15
IUPAC NameN'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
SMILESCC1(C)CC(=O)NC(/N=C(/N)N2CCCCC2)=N1.Cl
InChIInChI=1S/C12H21N5O.ClH/c1-12(2)8-9(18)14-11(16-12)15-10(13)17-6-4-3-5-7-17;/h3-8H2,1-2H3,(H3,13,14,15,16,18);1H
InChIKeyLEDPBJDUZVLRKC-UHFFFAOYSA-N
XLogP0.86
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.80
LogP ≤ 50.86
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'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride (CID 140842936) is N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride is CC1(C)CC(=O)NC(/N=C(/N)N2CCCCC2)=N1.Cl.
What is the InChIKey of N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The InChIKey is LEDPBJDUZVLRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O.ClH/c1-12(2)8-9(18)14-11(16-12)15-10(13)17-6-4-3-5-7-17;/h3-8H2,1-2H3,(H3,13,14,15,16,18);1H.
What are the key properties of N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride has a molecular weight of 287.80 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 140842936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).