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

C13H21N5O — CID 121358647

IUPACN'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESN/C(=N\C1=NC(C2CC2)CC(=O)N1)N1CCCCC1
InChIInChI=1S/C13H21N5O/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)
InChIKeyHYEPWEFKIWWSJF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.44
Rot. Bonds1

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

N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (PubChem CID 121358647) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
PubChem CID121358647
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESN/C(=N\C1=NC(C2CC2)CC(=O)N1)N1CCCCC1
InChIInChI=1S/C13H21N5O/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)
InChIKeyHYEPWEFKIWWSJF-UHFFFAOYSA-N
XLogP0.44
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.44
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

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'-(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'-(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;hydrochloride
CID 134248805
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
N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 140842935
N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide
CID 140842937
N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
CID 140842941
N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 140842942

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The IUPAC name of N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (CID 121358647) is N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is 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?
The InChIKey is HYEPWEFKIWWSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/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).
What are the key properties of N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 0.44, 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 is sourced from PubChem (CID 121358647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).