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

C14H26ClN5O — CID 134248805

IUPACN'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride
SMILESCC(C)CC1CC(=O)NC(/N=C(/N)N2CCCCC2)=N1.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-10(2)8-11-9-12(20)17-14(16-11)18-13(15)19-6-4-3-5-7-19;/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,20);1H
InChIKeyHOQOTSWNDOHYQB-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.50
Rot. Bonds2

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

N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride (PubChem CID 134248805) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride
PubChem CID134248805
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC NameN'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride
SMILESCC(C)CC1CC(=O)NC(/N=C(/N)N2CCCCC2)=N1.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-10(2)8-11-9-12(20)17-14(16-11)18-13(15)19-6-4-3-5-7-19;/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,20);1H
InChIKeyHOQOTSWNDOHYQB-UHFFFAOYSA-N
XLogP1.50
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.50
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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Related Compounds

2-Amino-6-(2-methylpropyl)-3,4,5,6-tetrahydropyrimidin-4-one
CID 6621267
(6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one
CID 59387877
N'-(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358403
N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358431
N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358559
N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358560
N'-(6-oxo-4-propyl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358561
N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide
CID 121358646
N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358647
N'-(6-oxo-4-propyl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 134248804
N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide
CID 134248806
N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
CID 140842934

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride?
The IUPAC name of N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride (CID 134248805) is N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride?
The canonical SMILES for N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride is CC(C)CC1CC(=O)NC(/N=C(/N)N2CCCCC2)=N1.Cl.
What is the InChIKey of N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride?
The InChIKey is HOQOTSWNDOHYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.ClH/c1-10(2)8-11-9-12(20)17-14(16-11)18-13(15)19-6-4-3-5-7-19;/h10-11H,3-9H2,1-2H3,(H3,15,16,17,18,20);1H.
What are the key properties of N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride?
N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride is sourced from PubChem (CID 134248805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).