2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine

C12H20N4O4 — CID 80821307

IUPAC2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine
SMILESCOCCN(c1nc(N)ccc1[N+](=O)[O-])C(C)COC
InChIInChI=1S/C12H20N4O4/c1-9(8-20-3)15(6-7-19-2)12-10(16(17)18)4-5-11(13)14-12/h4-5,9H,6-8H2,1-3H3,(H2,13,14)
InChIKeyRBLWBVQDDLRNSE-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.06
Rot. Bonds8

About 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine

2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine (PubChem CID 80821307) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine
PubChem CID80821307
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine
SMILESCOCCN(c1nc(N)ccc1[N+](=O)[O-])C(C)COC
InChIInChI=1S/C12H20N4O4/c1-9(8-20-3)15(6-7-19-2)12-10(16(17)18)4-5-11(13)14-12/h4-5,9H,6-8H2,1-3H3,(H2,13,14)
InChIKeyRBLWBVQDDLRNSE-UHFFFAOYSA-N
XLogP1.06
TPSA103.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
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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Related Compounds

2-N-butan-2-yl-6-N-ethyl-2-N-(2-methoxyethyl)-3-nitropyridine-2,6-diamine
CID 80787747
2-N-methyl-3-nitro-2-N-pentan-2-ylpyridine-2,6-diamine
CID 80793650
2-N-methyl-2-N-(4-methylpentan-2-yl)-3-nitropyridine-2,6-diamine
CID 80809884
2-[(6-amino-3-nitro-2-pyridinyl)-ethylamino]ethanol
CID 80790273
6-methoxy-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 115320609
3-[(6-amino-3-nitro-2-pyridinyl)-methylamino]butanenitrile
CID 80828258
6-[2-(diethylamino)ethoxy]-5-nitropyridin-2-amine
CID 80871108
4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326506
2-N-ethyl-2-N-(furan-2-ylmethyl)-3-nitropyridine-2,6-diamine
CID 80796190
2-N-cyclohexyl-2-N-ethyl-3-nitropyridine-2,6-diamine
CID 80767596
3-bromo-2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)pyridine-2,5-diamine
CID 79535258
3-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-nitrobenzenesulfonamide
CID 82845812

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine (CID 80821307) is 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine is COCCN(c1nc(N)ccc1[N+](=O)[O-])C(C)COC.
What is the InChIKey of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine?
The InChIKey is RBLWBVQDDLRNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-9(8-20-3)15(6-7-19-2)12-10(16(17)18)4-5-11(13)14-12/h4-5,9H,6-8H2,1-3H3,(H2,13,14).
What are the key properties of 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine?
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine has a molecular weight of 284.32 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 80821307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).