6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine

C10H16N4O3 — CID 113450416

IUPAC6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine
SMILESCOC(C)(C)CNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C10H16N4O3/c1-10(2,17-3)6-12-8-5-4-7(14(15)16)9(11)13-8/h4-5H,6H2,1-3H3,(H3,11,12,13)
InChIKeyQDQVAUWBHVMQMX-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.41
Rot. Bonds5

About 6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine

6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine (PubChem CID 113450416) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine
PubChem CID113450416
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine
SMILESCOC(C)(C)CNc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C10H16N4O3/c1-10(2,17-3)6-12-8-5-4-7(14(15)16)9(11)13-8/h4-5H,6H2,1-3H3,(H3,11,12,13)
InChIKeyQDQVAUWBHVMQMX-UHFFFAOYSA-N
XLogP1.41
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
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

6-N-(2-methyl-2-thiophen-2-ylpropyl)-3-nitropyridine-2,6-diamine
CID 80528406
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
CID 79825900
3-nitro-6-N-octylpyridine-2,6-diamine
CID 110180521
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-methylpentanoate
CID 79815726
6-N-[(4-aminophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 116650455
3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
2-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]phenol
CID 10083938
N-(2-methoxy-2-methylpropyl)-4-methyl-5-nitropyridin-2-amine
CID 115669177
1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436128

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine (CID 113450416) is 6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine is COC(C)(C)CNc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine?
The InChIKey is QDQVAUWBHVMQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,17-3)6-12-8-5-4-7(14(15)16)9(11)13-8/h4-5H,6H2,1-3H3,(H3,11,12,13).
What are the key properties of 6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine?
6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine has a molecular weight of 240.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 113450416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).