N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide

C13H21N5O2 — CID 177365400

IUPACN'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide
SMILESN/C(=N\O)c1ncc(OCCCN2CCCCC2)cn1
InChIInChI=1S/C13H21N5O2/c14-12(17-19)13-15-9-11(10-16-13)20-8-4-7-18-5-2-1-3-6-18/h9-10,19H,1-8H2,(H2,14,17)
InChIKeyJHMTUAXCHZPZIJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.83
Rot. Bonds6

About N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide

N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide (PubChem CID 177365400) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide
PubChem CID177365400
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide
SMILESN/C(=N\O)c1ncc(OCCCN2CCCCC2)cn1
InChIInChI=1S/C13H21N5O2/c14-12(17-19)13-15-9-11(10-16-13)20-8-4-7-18-5-2-1-3-6-18/h9-10,19H,1-8H2,(H2,14,17)
InChIKeyJHMTUAXCHZPZIJ-UHFFFAOYSA-N
XLogP0.83
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-5-(2-piperidin-1-ylethoxy)pyridine-2-carboximidamide
CID 136990863
4-[2-(azepan-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61301567
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 76981662
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
2-chloro-N'-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimidamide
CID 169366385
N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide
CID 76951959
N-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-ylidene]hydroxylamine
CID 76905275
4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
CID 155587886
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
N'-(3-piperidin-1-ylpropoxy)pyridine-3-carboximidamide;dihydrochloride
CID 87475486

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide (CID 177365400) is N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide is N/C(=N\O)c1ncc(OCCCN2CCCCC2)cn1.
What is the InChIKey of N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide?
The InChIKey is JHMTUAXCHZPZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c14-12(17-19)13-15-9-11(10-16-13)20-8-4-7-18-5-2-1-3-6-18/h9-10,19H,1-8H2,(H2,14,17).
What are the key properties of N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide?
N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide has a molecular weight of 279.34 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-piperidin-1-ylpropoxy)pyrimidine-2-carboximidamide is sourced from PubChem (CID 177365400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).