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

C11H17N5O — CID 135954388

IUPACN'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2CCCCC2)n1
InChIInChI=1S/C11H17N5O/c1-8-7-9(17)14-11(13-8)15-10(12)16-5-3-2-4-6-16/h7H,2-6H2,1H3,(H3,12,13,14,15,17)
InChIKeyHOZVEQFPVVGAQF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.51
Rot. Bonds1

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

N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (PubChem CID 135954388) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
PubChem CID135954388
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2CCCCC2)n1
InChIInChI=1S/C11H17N5O/c1-8-7-9(17)14-11(13-8)15-10(12)16-5-3-2-4-6-16/h7H,2-6H2,1H3,(H3,12,13,14,15,17)
InChIKeyHOZVEQFPVVGAQF-UHFFFAOYSA-N
XLogP0.51
TPSA87.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.51
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

(3R,5R)-3,5-dimethyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 135875004
N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-4-pyridin-2-ylpiperazine-1-carboximidamide
CID 136713256
4-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135421456
N'-(6-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 140778587
N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboximidamide
CID 154778523
N'-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboximidamide
CID 53215438
N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide
CID 43827118
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine
CID 135762369
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(3-methylphenyl)guanidine
CID 137276879
1-(2,4-dimethylphenyl)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135481551
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1-(4-phenoxyphenyl)guanidine
CID 135504526
N'-[(2,6-dimethylpyrimidin-4-yl)methyl]azepane-1-carboximidamide;hydroiodide
CID 120913679

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The IUPAC name of N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (CID 135954388) is N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is Cc1cc(=O)[nH]c(N=C(N)N2CCCCC2)n1.
What is the InChIKey of N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The InChIKey is HOZVEQFPVVGAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8-7-9(17)14-11(13-8)15-10(12)16-5-3-2-4-6-16/h7H,2-6H2,1H3,(H3,12,13,14,15,17).
What are the key properties of N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 135954388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).