6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine

C10H16N4O3 — CID 114071046

IUPAC6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine
SMILESCNc1cc([N+](=O)[O-])cc(NC(C)COC)n1
InChIInChI=1S/C10H16N4O3/c1-7(6-17-3)12-10-5-8(14(15)16)4-9(11-2)13-10/h4-5,7H,6H2,1-3H3,(H2,11,12,13)
InChIKeyMUEJOAWXBWGJBQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.48
Rot. Bonds6

About 6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine

6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine (PubChem CID 114071046) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine
PubChem CID114071046
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine
SMILESCNc1cc([N+](=O)[O-])cc(NC(C)COC)n1
InChIInChI=1S/C10H16N4O3/c1-7(6-17-3)12-10-5-8(14(15)16)4-9(11-2)13-10/h4-5,7H,6H2,1-3H3,(H2,11,12,13)
InChIKeyMUEJOAWXBWGJBQ-UHFFFAOYSA-N
XLogP1.48
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.48
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

4-methoxy-3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]butan-1-ol
CID 106163078
2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 129380989
N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 23104376
N-(1-methoxypropan-2-yl)-3-nitro-5-propan-2-yloxyaniline
CID 80722068
2-methyl-5-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]pentan-1-ol
CID 106163269
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
2-chloro-N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 43078501
6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 103888459
4-N-(4-methoxybutan-2-yl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80844529
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983
2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine
CID 114071057
6-chloro-N-[4-(furan-2-yl)butan-2-yl]-4-nitropyridin-2-amine
CID 103888310

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine (CID 114071046) is 6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine is CNc1cc([N+](=O)[O-])cc(NC(C)COC)n1.
What is the InChIKey of 6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine?
The InChIKey is MUEJOAWXBWGJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-7(6-17-3)12-10-5-8(14(15)16)4-9(11-2)13-10/h4-5,7H,6H2,1-3H3,(H2,11,12,13).
What are the key properties of 6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine?
6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine has a molecular weight of 240.26 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-methoxypropan-2-yl)-2-N-methyl-4-nitropyridine-2,6-diamine is sourced from PubChem (CID 114071046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).