2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine

C11H16N4O3 — CID 154966522

IUPAC2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine
SMILESCC1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H](C)O1
InChIInChI=1S/C11H16N4O3/c1-7-5-14(6-8(2)18-7)11-3-9(12)10(4-13-11)15(16)17/h3-4,7-8H,5-6H2,1-2H3,(H2,12,13)/t7-,8?/m0/s1
InChIKeyNJIRPJIWWBCFSF-JAMMHHFISA-N
MW252.27 g/mol
LogP1.19
Rot. Bonds2

About 2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine

2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine (PubChem CID 154966522) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine.

Molecular Properties

Compound Name2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine
PubChem CID154966522
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine
SMILESCC1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H](C)O1
InChIInChI=1S/C11H16N4O3/c1-7-5-14(6-8(2)18-7)11-3-9(12)10(4-13-11)15(16)17/h3-4,7-8H,5-6H2,1-2H3,(H2,12,13)/t7-,8?/m0/s1
InChIKeyNJIRPJIWWBCFSF-JAMMHHFISA-N
XLogP1.19
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine?
The IUPAC name of 2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine (CID 154966522) is 2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine.
What is the SMILES notation for 2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine?
The canonical SMILES for 2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine is CC1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H](C)O1.
What is the InChIKey of 2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine?
The InChIKey is NJIRPJIWWBCFSF-JAMMHHFISA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-5-14(6-8(2)18-7)11-3-9(12)10(4-13-11)15(16)17/h3-4,7-8H,5-6H2,1-2H3,(H2,12,13)/t7-,8?/m0/s1.
What are the key properties of 2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine?
2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine has a molecular weight of 252.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,6-dimethylmorpholin-4-yl]-5-nitropyridin-4-amine is sourced from PubChem (CID 154966522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).