N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide

C13H21N5O2 — CID 136906366

IUPACN'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N2CCCCC2CCO)n1
InChIInChI=1S/C13H21N5O2/c1-9-8-11(12(14)17-20)16-13(15-9)18-6-3-2-4-10(18)5-7-19/h8,10,19-20H,2-7H2,1H3,(H2,14,17)
InChIKeyLHCISZZHQKRAHQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.62
Rot. Bonds4

About N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide

N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide (PubChem CID 136906366) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide
PubChem CID136906366
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)nc(N2CCCCC2CCO)n1
InChIInChI=1S/C13H21N5O2/c1-9-8-11(12(14)17-20)16-13(15-9)18-6-3-2-4-10(18)5-7-19/h8,10,19-20H,2-7H2,1H3,(H2,14,17)
InChIKeyLHCISZZHQKRAHQ-UHFFFAOYSA-N
XLogP0.62
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.62
H-Bond Donors ≤ 53
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-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide
CID 83046252
2-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidine-4-carbothioamide
CID 107546727
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43199962
2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906910
N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 24696730
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906821
N'-hydroxy-6-methyl-2-(2,3,5-trimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136906945
2-[1-(6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
CID 63586332
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
2-chloro-N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 76945268
2-(3-cyclopropylpyrazol-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907053
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide (CID 136906366) is N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide is Cc1cc(/C(N)=N/O)nc(N2CCCCC2CCO)n1.
What is the InChIKey of N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide?
The InChIKey is LHCISZZHQKRAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9-8-11(12(14)17-20)16-13(15-9)18-6-3-2-4-10(18)5-7-19/h8,10,19-20H,2-7H2,1H3,(H2,14,17).
What are the key properties of N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide?
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide has a molecular weight of 279.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 136906366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).