N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide

C11H17N5O2 — CID 136986695

IUPACN'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
SMILESCOC1CCN(c2nccc(/C(N)=N/O)n2)CC1
InChIInChI=1S/C11H17N5O2/c1-18-8-3-6-16(7-4-8)11-13-5-2-9(14-11)10(12)15-17/h2,5,8,17H,3-4,6-7H2,1H3,(H2,12,15)
InChIKeyMZRALFNFJMLLPC-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.19
Rot. Bonds3

About N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide

N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide (PubChem CID 136986695) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
PubChem CID136986695
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
SMILESCOC1CCN(c2nccc(/C(N)=N/O)n2)CC1
InChIInChI=1S/C11H17N5O2/c1-18-8-3-6-16(7-4-8)11-13-5-2-9(14-11)10(12)15-17/h2,5,8,17H,3-4,6-7H2,1H3,(H2,12,15)
InChIKeyMZRALFNFJMLLPC-UHFFFAOYSA-N
XLogP0.19
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 136906998
2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906689
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide
CID 136967839
N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
CID 136906717
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906728
2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
CID 107550740
2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906855
2-(2,2-dimethylthiomorpholin-4-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906933
N'-hydroxy-2-(1-methylpyrrolidin-3-yl)oxypyrimidine-4-carboximidamide
CID 136949020
N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidine-4-carboximidamide
CID 136906851
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
2-[4-(hydroxymethyl)piperidin-1-yl]pyrimidine-4-carbothioamide
CID 107546542

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide (CID 136986695) is N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide is COC1CCN(c2nccc(/C(N)=N/O)n2)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide?
The InChIKey is MZRALFNFJMLLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-18-8-3-6-16(7-4-8)11-13-5-2-9(14-11)10(12)15-17/h2,5,8,17H,3-4,6-7H2,1H3,(H2,12,15).
What are the key properties of N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide?
N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide has a molecular weight of 251.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 136986695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).