2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol

C11H18N6O4 — CID 82688318

IUPAC2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol
SMILESNNc1ncnc(N2CCC(OCCO)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O4/c12-15-10-9(17(19)20)11(14-7-13-10)16-3-1-8(2-4-16)21-6-5-18/h7-8,18H,1-6,12H2,(H,13,14,15)
InChIKeyUCAJPIUSXUEJMV-UHFFFAOYSA-N
MW298.30 g/mol
LogP-0.35
Rot. Bonds6

About 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol

2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol (PubChem CID 82688318) has the molecular formula C11H18N6O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol
PubChem CID82688318
Molecular FormulaC11H18N6O4
Molecular Weight298.30 g/mol
Exact Mass298.14
IUPAC Name2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol
SMILESNNc1ncnc(N2CCC(OCCO)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O4/c12-15-10-9(17(19)20)11(14-7-13-10)16-3-1-8(2-4-16)21-6-5-18/h7-8,18H,1-6,12H2,(H,13,14,15)
InChIKeyUCAJPIUSXUEJMV-UHFFFAOYSA-N
XLogP-0.35
TPSA139.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol with MolForge

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Related Compounds

[6-(4-ethylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 80896386
6-(4-methoxypiperidin-1-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 112726566
N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80910265
[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 102971973
2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol
CID 80912433
ethyl 1-[6-(2-methoxyethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23494177
ethyl 1-[6-(ethylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23487096
1-[4-(6-hydrazinyl-5-nitropyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 80901623
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 114072620
2-[1-(5-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82696062
4-chloro-6-(4-ethoxypiperidin-1-yl)-5-nitropyrimidine
CID 62100534
2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82689461

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol (CID 82688318) is 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol is NNc1ncnc(N2CCC(OCCO)CC2)c1[N+](=O)[O-].
What is the InChIKey of 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
The InChIKey is UCAJPIUSXUEJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O4/c12-15-10-9(17(19)20)11(14-7-13-10)16-3-1-8(2-4-16)21-6-5-18/h7-8,18H,1-6,12H2,(H,13,14,15).
What are the key properties of 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol?
2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol has a molecular weight of 298.30 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82688318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).