1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol

C10H16N4O3 — CID 79815724

IUPAC1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C10H16N4O3/c1-10(2,15)6-13(3)8-5-4-7(14(16)17)9(11)12-8/h4-5,15H,6H2,1-3H3,(H2,11,12)
InChIKeyJWMJFCOAWDUADT-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.78
Rot. Bonds4

About 1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol

1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol (PubChem CID 79815724) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
PubChem CID79815724
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol
SMILESCN(CC(C)(C)O)c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C10H16N4O3/c1-10(2,15)6-13(3)8-5-4-7(14(16)17)9(11)12-8/h4-5,15H,6H2,1-3H3,(H2,11,12)
InChIKeyJWMJFCOAWDUADT-UHFFFAOYSA-N
XLogP0.78
TPSA105.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.78
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

methyl 3-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropanoate
CID 79815567
6-N-(3-amino-2,2-dimethylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 79816318
6-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxy-3-nitropyridine-2-carboximidamide
CID 136768970
1-[(2-aminopyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80848859
2-methyl-1-[methyl-(5-nitroisoquinolin-8-yl)amino]propan-2-ol
CID 103142590
5-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-2-nitrobenzamide
CID 79385427
1-(6-amino-5-nitro-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 79816474
6-N-[2-(dimethylamino)propyl]-3-nitropyridine-2,6-diamine
CID 79825900
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
2-[(6-amino-5-nitro-2-pyridinyl)-benzylamino]ethanol
CID 79826901
3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
3-[(6-amino-5-nitro-2-pyridinyl)-ethylamino]-2-methylpropanenitrile
CID 79826290

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol (CID 79815724) is 1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol is CN(CC(C)(C)O)c1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is JWMJFCOAWDUADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,15)6-13(3)8-5-4-7(14(16)17)9(11)12-8/h4-5,15H,6H2,1-3H3,(H2,11,12).
What are the key properties of 1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol?
1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol has a molecular weight of 240.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79815724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).