N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine

C11H17N5O2 — CID 63638105

IUPACN-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
SMILESCCN(c1ncc([N+](=O)[O-])cn1)C1CCCNC1
InChIInChI=1S/C11H17N5O2/c1-2-15(9-4-3-5-12-6-9)11-13-7-10(8-14-11)16(17)18/h7-9,12H,2-6H2,1H3
InChIKeyTXJRFUURARITCA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.96
Rot. Bonds4

About N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine

N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine (PubChem CID 63638105) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
PubChem CID63638105
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
SMILESCCN(c1ncc([N+](=O)[O-])cn1)C1CCCNC1
InChIInChI=1S/C11H17N5O2/c1-2-15(9-4-3-5-12-6-9)11-13-7-10(8-14-11)16(17)18/h7-9,12H,2-6H2,1H3
InChIKeyTXJRFUURARITCA-UHFFFAOYSA-N
XLogP0.96
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.96
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

N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine
CID 116648595
2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 63637867
N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine
CID 55244163
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
CID 63638104
5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 63636490
N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
CID 63638439
N-ethyl-4,6-dimethyl-N-piperidin-3-ylpyrimidin-2-amine
CID 55245888
2-[cyclobutyl-(5-nitropyrimidin-2-yl)amino]ethanol
CID 102675262
N-ethyl-5-methoxy-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 114600914
N-ethyl-4-methyl-N-piperidin-3-ylpyrimidin-2-amine
CID 63637344

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine (CID 63638105) is N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine is CCN(c1ncc([N+](=O)[O-])cn1)C1CCCNC1.
What is the InChIKey of N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine?
The InChIKey is TXJRFUURARITCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-15(9-4-3-5-12-6-9)11-13-7-10(8-14-11)16(17)18/h7-9,12H,2-6H2,1H3.
What are the key properties of N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine?
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 63638105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).