2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol

C10H14N4O5 — CID 3308544

IUPAC2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol
SMILESCc1nc(NC(C)(C)CO)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O5/c1-6-7(13(16)17)4-8(14(18)19)9(11-6)12-10(2,3)5-15/h4,15H,5H2,1-3H3,(H,11,12)
InChIKeyMJXPPQNZCOFDDJ-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.39
Rot. Bonds5

About 2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol

2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol (PubChem CID 3308544) has the molecular formula C10H14N4O5 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol
PubChem CID3308544
Molecular FormulaC10H14N4O5
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol
SMILESCc1nc(NC(C)(C)CO)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O5/c1-6-7(13(16)17)4-8(14(18)19)9(11-6)12-10(2,3)5-15/h4,15H,5H2,1-3H3,(H,11,12)
InChIKeyMJXPPQNZCOFDDJ-UHFFFAOYSA-N
XLogP1.39
TPSA131.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol (CID 3308544) is 2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol is Cc1nc(NC(C)(C)CO)c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol?
The InChIKey is MJXPPQNZCOFDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-6-7(13(16)17)4-8(14(18)19)9(11-6)12-10(2,3)5-15/h4,15H,5H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol?
2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol has a molecular weight of 270.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-methyl-3,5-dinitro-2-pyridinyl)amino]propan-1-ol is sourced from PubChem (CID 3308544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).