[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine

C11H18N6O3 — CID 102971973

IUPAC[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
SMILESCOC1CN(c2ncnc(NN)c2[N+](=O)[O-])CCC1C
InChIInChI=1S/C11H18N6O3/c1-7-3-4-16(5-8(7)20-2)11-9(17(18)19)10(15-12)13-6-14-11/h6-8H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyBISSRRWJTPOUGB-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.53
Rot. Bonds4

About [6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine

[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 102971973) has the molecular formula C11H18N6O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
PubChem CID102971973
Molecular FormulaC11H18N6O3
Molecular Weight282.30 g/mol
Exact Mass282.14
IUPAC Name[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
SMILESCOC1CN(c2ncnc(NN)c2[N+](=O)[O-])CCC1C
InChIInChI=1S/C11H18N6O3/c1-7-3-4-16(5-8(7)20-2)11-9(17(18)19)10(15-12)13-6-14-11/h6-8H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyBISSRRWJTPOUGB-UHFFFAOYSA-N
XLogP0.53
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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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
2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82688318
6-(3-methoxypiperidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 102971520
[3-(3-methoxy-4-methylpiperidin-1-yl)-5-nitrophenyl]hydrazine
CID 102971959
N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23478680
N-ethyl-6-(3-methoxy-4-methylpiperidin-1-yl)-5-propan-2-ylpyrimidin-4-amine
CID 102971342
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
1,1-dimethyl-2-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 23492262
6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 23487487
6-chloro-2-(3-methoxy-4-methylpiperidin-1-yl)-3-nitropyridine
CID 102963203
[6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 83224307

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine (CID 102971973) is [6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine is COC1CN(c2ncnc(NN)c2[N+](=O)[O-])CCC1C.
What is the InChIKey of [6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is BISSRRWJTPOUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3/c1-7-3-4-16(5-8(7)20-2)11-9(17(18)19)10(15-12)13-6-14-11/h6-8H,3-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of [6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 282.30 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 102971973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).