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

C13H22ClN5O — CID 140842941

IUPACN'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
SMILESCl.N/C(=N/C1=NC(C2CC2)CC(=O)N1)N1CCCCC1
InChIInChI=1S/C13H21N5O.ClH/c14-12(18-6-2-1-3-7-18)17-13-15-10(9-4-5-9)8-11(19)16-13;/h9-10H,1-8H2,(H3,14,15,16,17,19);1H
InChIKeyMTMJGFAXUVUSBI-UHFFFAOYSA-N
MW299.81 g/mol
LogP0.86
Rot. Bonds1

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

N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride (PubChem CID 140842941) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
PubChem CID140842941
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC NameN'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
SMILESCl.N/C(=N/C1=NC(C2CC2)CC(=O)N1)N1CCCCC1
InChIInChI=1S/C13H21N5O.ClH/c14-12(18-6-2-1-3-7-18)17-13-15-10(9-4-5-9)8-11(19)16-13;/h9-10H,1-8H2,(H3,14,15,16,17,19);1H
InChIKeyMTMJGFAXUVUSBI-UHFFFAOYSA-N
XLogP0.86
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
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-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride (CID 140842941) is N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride is Cl.N/C(=N/C1=NC(C2CC2)CC(=O)N1)N1CCCCC1.
What is the InChIKey of N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
The InChIKey is MTMJGFAXUVUSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O.ClH/c14-12(18-6-2-1-3-7-18)17-13-15-10(9-4-5-9)8-11(19)16-13;/h9-10H,1-8H2,(H3,14,15,16,17,19);1H.
What are the key properties of N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride?
N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride has a molecular weight of 299.81 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 140842941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).