[6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine

C11H18N6O2 — CID 83224307

IUPAC[6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
SMILESCCC1CCC(C)N1c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O2/c1-3-8-5-4-7(2)16(8)11-9(17(18)19)10(15-12)13-6-14-11/h6-8H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyRGNFLPDMYINLIV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.44
Rot. Bonds4

About [6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine

[6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine (PubChem CID 83224307) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is [6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
PubChem CID83224307
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name[6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
SMILESCCC1CCC(C)N1c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N6O2/c1-3-8-5-4-7(2)16(8)11-9(17(18)19)10(15-12)13-6-14-11/h6-8H,3-5,12H2,1-2H3,(H,13,14,15)
InChIKeyRGNFLPDMYINLIV-UHFFFAOYSA-N
XLogP1.44
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
3-ethyl-4-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperazine-2,6-dione
CID 80925457
1-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80919325
6-(2-ethylpyrrolidin-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80793978
[6-(3-methoxy-4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 102971973
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 83219682
N-cyclopropyl-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80944111
6-(2-ethyl-5-methylpyrrolidin-1-yl)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470498
6-(2-ethylpyrrolidin-1-yl)-5-nitropyrimidin-4-amine
CID 80798120
N-(3-ethylcyclohexyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80915027
6-hydrazinyl-N-methyl-N-(2-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80902263
4-chloro-6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-methylpyrimidine
CID 83219939

Frequently Asked Questions

What is the IUPAC name of [6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine (CID 83224307) is [6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine is CCC1CCC(C)N1c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of [6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
The InChIKey is RGNFLPDMYINLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-3-8-5-4-7(2)16(8)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-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine?
[6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine has a molecular weight of 266.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethyl-5-methylpyrrolidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine is sourced from PubChem (CID 83224307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).