2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine

C12H18N4O4 — CID 102634762

IUPAC2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ncnc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4/c1-13-8-5-3-4-6-9(8)20-12-10(16(17)18)11(19-2)14-7-15-12/h7-9,13H,3-6H2,1-2H3
InChIKeyANKXNBHXEPQYKW-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.30
Rot. Bonds5

About 2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine

2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine (PubChem CID 102634762) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine
PubChem CID102634762
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1Oc1ncnc(OC)c1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O4/c1-13-8-5-3-4-6-9(8)20-12-10(16(17)18)11(19-2)14-7-15-12/h7-9,13H,3-6H2,1-2H3
InChIKeyANKXNBHXEPQYKW-UHFFFAOYSA-N
XLogP1.30
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 102634395
N-methyl-2-[(5-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 102634307
2-(3-ethoxy-2-nitrophenoxy)-N-methylcyclohexan-1-amine
CID 102634377
N-methyl-2-(4-nitrophenoxy)cyclohexan-1-amine
CID 102634472
2-[(6-methoxy-2-pyridinyl)oxy]-N-methylcyclohexan-1-amine
CID 102634392
N-methyl-2-(2-nitrophenoxy)cyclohexan-1-amine
CID 102634561
2-(2-fluoro-4-nitrophenoxy)-N-methylcyclohexan-1-amine
CID 102634184
N-tert-butyl-6-cyclohexyloxy-5-nitropyrimidin-4-amine
CID 23478844
N-methyl-6-(3-methylcyclohexyl)oxy-5-nitropyrimidin-4-amine
CID 80860966
N-methyl-2-(6-propylpyrimidin-4-yl)oxycyclohexan-1-amine
CID 102634706
[1-(6-methoxy-5-nitropyrimidin-4-yl)azepan-2-yl]methanol
CID 116636958
2-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylcyclohexan-1-amine
CID 102634203

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine (CID 102634762) is 2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine is CNC1CCCCC1Oc1ncnc(OC)c1[N+](=O)[O-].
What is the InChIKey of 2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine?
The InChIKey is ANKXNBHXEPQYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-13-8-5-3-4-6-9(8)20-12-10(16(17)18)11(19-2)14-7-15-12/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine?
2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine has a molecular weight of 282.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-5-nitropyrimidin-4-yl)oxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102634762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).