N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide

C10H15N5O — CID 97357761

IUPACN'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H15N5O/c11-9(14-16)8-2-6-15(7-3-8)10-12-4-1-5-13-10/h1,4-5,8,16H,2-3,6-7H2,(H2,11,14)
InChIKeyNUTCJHUBGRXOMC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.44
Rot. Bonds2

About N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide

N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide (PubChem CID 97357761) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide
PubChem CID97357761
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide
SMILESN/C(=N/O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H15N5O/c11-9(14-16)8-2-6-15(7-3-8)10-12-4-1-5-13-10/h1,4-5,8,16H,2-3,6-7H2,(H2,11,14)
InChIKeyNUTCJHUBGRXOMC-UHFFFAOYSA-N
XLogP0.44
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1-pyrazin-2-ylpiperidine-4-carboximidamide
CID 131632877
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
prop-2-enyl 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 86826366
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 111561597
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 51103793
N-(4-methylcyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675571
hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium
CID 136674209
N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
CID 43175017

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide (CID 97357761) is N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide is N/C(=N/O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide?
The InChIKey is NUTCJHUBGRXOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c11-9(14-16)8-2-6-15(7-3-8)10-12-4-1-5-13-10/h1,4-5,8,16H,2-3,6-7H2,(H2,11,14).
What are the key properties of N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide?
N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide has a molecular weight of 221.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-pyrimidin-2-ylpiperidine-4-carboximidamide is sourced from PubChem (CID 97357761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).