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

C10H17N5O — CID 140842940

IUPACN'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESN/C(=N/C1=NCCC(=O)N1)N1CCCCC1
InChIInChI=1S/C10H17N5O/c11-9(15-6-2-1-3-7-15)14-10-12-5-4-8(16)13-10/h1-7H2,(H3,11,12,13,14,16)
InChIKeyFBRWIXIONPPUCD-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.34
Rot. Bonds

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

N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (PubChem CID 140842940) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
PubChem CID140842940
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESN/C(=N/C1=NCCC(=O)N1)N1CCCCC1
InChIInChI=1S/C10H17N5O/c11-9(15-6-2-1-3-7-15)14-10-12-5-4-8(16)13-10/h1-7H2,(H3,11,12,13,14,16)
InChIKeyFBRWIXIONPPUCD-UHFFFAOYSA-N
XLogP-0.34
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.34
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

4,6(1H,5H)-Pyrimidinedione, 2-piperidino-
CID 3045889
2-(4-methylpiperazin-1-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 13398177
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'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358645
N'-(6-oxo-4-propyl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 134248804
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;hydrochloride
CID 140842936
N'-(4,4-dimethyl-6-oxo-1,5-dihydropyrimidin-2-yl)piperidine-1-carboximidamide
CID 140842937

Frequently Asked Questions

What is the IUPAC name of N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The IUPAC name of N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (CID 140842940) is N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is N/C(=N/C1=NCCC(=O)N1)N1CCCCC1.
What is the InChIKey of N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The InChIKey is FBRWIXIONPPUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-9(15-6-2-1-3-7-15)14-10-12-5-4-8(16)13-10/h1-7H2,(H3,11,12,13,14,16).
What are the key properties of N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide has a molecular weight of 223.28 g/mol, XLogP of -0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 140842940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).