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

C13H24ClN5O — CID 140842934

IUPACN'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
SMILESCC(C)C1CC(=O)NC(/N=C(/N)N2CCCCC2)=N1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-9(2)10-8-11(19)16-13(15-10)17-12(14)18-6-4-3-5-7-18;/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17,19);1H
InChIKeyRMTXADRXAJESLQ-UHFFFAOYSA-N
MW301.82 g/mol
LogP1.11
Rot. Bonds1

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

N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride (PubChem CID 140842934) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
PubChem CID140842934
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC NameN'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
SMILESCC(C)C1CC(=O)NC(/N=C(/N)N2CCCCC2)=N1.Cl
InChIInChI=1S/C13H23N5O.ClH/c1-9(2)10-8-11(19)16-13(15-10)17-12(14)18-6-4-3-5-7-18;/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17,19);1H
InChIKeyRMTXADRXAJESLQ-UHFFFAOYSA-N
XLogP1.11
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 51.11
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-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride (CID 140842934) is N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride is CC(C)C1CC(=O)NC(/N=C(/N)N2CCCCC2)=N1.Cl.
What is the InChIKey of N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The InChIKey is RMTXADRXAJESLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.ClH/c1-9(2)10-8-11(19)16-13(15-10)17-12(14)18-6-4-3-5-7-18;/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17,19);1H.
What are the key properties of N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 140842934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).