5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride

C8H12ClN5O2 — CID 171935098

IUPAC5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride
SMILESCl.O=[N+]([O-])c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H11N5O2.ClH/c14-13(15)7-5-10-8(11-6-7)12-3-1-9-2-4-12;/h5-6,9H,1-4H2;1H
InChIKeyKVYMFZFDFPUEBF-UHFFFAOYSA-N
MW245.67 g/mol
LogP0.22
Rot. Bonds2

About 5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride

5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride (PubChem CID 171935098) has the molecular formula C8H12ClN5O2 and a molecular weight of 245.67 g/mol. Its IUPAC name is 5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride
PubChem CID171935098
Molecular FormulaC8H12ClN5O2
Molecular Weight245.67 g/mol
Exact Mass245.07
IUPAC Name5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride
SMILESCl.O=[N+]([O-])c1cnc(N2CCNCC2)nc1
InChIInChI=1S/C8H11N5O2.ClH/c14-13(15)7-5-10-8(11-6-7)12-3-1-9-2-4-12;/h5-6,9H,1-4H2;1H
InChIKeyKVYMFZFDFPUEBF-UHFFFAOYSA-N
XLogP0.22
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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2-piperazin-1-yl-5-propan-2-ylpyrimidine
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6-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 154640969
1-(2-piperazin-1-ylpyrimidin-5-yl)ethanone;hydrochloride
CID 154810154
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
1-(3-nitrophenyl)piperazine;hydrochloride
CID 2760215
N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine
CID 62546025
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053
5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
CID 135146269
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
1-(3-nitrophenyl)piperazine
CID 2760216
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CID 71302762

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride?
The IUPAC name of 5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride (CID 171935098) is 5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride.
What is the SMILES notation for 5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride?
The canonical SMILES for 5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride is Cl.O=[N+]([O-])c1cnc(N2CCNCC2)nc1.
What is the InChIKey of 5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride?
The InChIKey is KVYMFZFDFPUEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2.ClH/c14-13(15)7-5-10-8(11-6-7)12-3-1-9-2-4-12;/h5-6,9H,1-4H2;1H.
What are the key properties of 5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride?
5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride has a molecular weight of 245.67 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride is sourced from PubChem (CID 171935098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).