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

C11H19N5O — CID 121358560

IUPACN'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCC1CN=C(/N=C(\N)N2CCCCC2)NC1=O
InChIInChI=1S/C11H19N5O/c1-8-7-13-11(14-9(8)17)15-10(12)16-5-3-2-4-6-16/h8H,2-7H2,1H3,(H3,12,13,14,15,17)
InChIKeyXBWWXSUCJBFXQP-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.09
Rot. Bonds

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

N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (PubChem CID 121358560) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
PubChem CID121358560
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCC1CN=C(/N=C(\N)N2CCCCC2)NC1=O
InChIInChI=1S/C11H19N5O/c1-8-7-13-11(14-9(8)17)15-10(12)16-5-3-2-4-6-16/h8H,2-7H2,1H3,(H3,12,13,14,15,17)
InChIKeyXBWWXSUCJBFXQP-UHFFFAOYSA-N
XLogP-0.09
TPSA83.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.09
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'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The IUPAC name of N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (CID 121358560) is N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is CC1CN=C(/N=C(\N)N2CCCCC2)NC1=O.
What is the InChIKey of N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The InChIKey is XBWWXSUCJBFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-7-13-11(14-9(8)17)15-10(12)16-5-3-2-4-6-16/h8H,2-7H2,1H3,(H3,12,13,14,15,17).
What are the key properties of N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 121358560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).