2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine

C11H16N4O2 — CID 114071266

IUPAC2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
SMILESCCNc1cc([N+](=O)[O-])cc(NC2(C)CC2)n1
InChIInChI=1S/C11H16N4O2/c1-3-12-9-6-8(15(16)17)7-10(13-9)14-11(2)4-5-11/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyIFKJLASPPOBYED-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.39
Rot. Bonds5

About 2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine

2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine (PubChem CID 114071266) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
PubChem CID114071266
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine
SMILESCCNc1cc([N+](=O)[O-])cc(NC2(C)CC2)n1
InChIInChI=1S/C11H16N4O2/c1-3-12-9-6-8(15(16)17)7-10(13-9)14-11(2)4-5-11/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyIFKJLASPPOBYED-UHFFFAOYSA-N
XLogP2.39
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,2-dimethylpropyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071107
6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071044
2-N-ethyl-6-N-(3-methylbutyl)-4-nitropyridine-2,6-diamine
CID 114071050
6-N-ethyl-2-N-(1-methylcyclopropyl)-3-nitropyridine-2,6-diamine
CID 113486256
3-[[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]methyl]-2-methyloxolan-3-ol
CID 106103503
2-N-ethyl-6-N-(3-methoxypropyl)-4-nitropyridine-2,6-diamine
CID 114071057
N-ethyl-2-[[6-(ethylamino)-4-nitro-2-pyridinyl]amino]ethanesulfonamide
CID 106343389
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695
6-N-ethyl-4-N-(1-methylcyclobutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 113486283
6-N-ethyl-4-N-(4-methyloxan-4-yl)pyrimidine-2,4,6-triamine
CID 113491377
N-(1-methylcyclopropyl)-6-nitroquinolin-2-amine
CID 113485576
6-N-(3-methylpentan-3-yl)-4-nitro-2-N-propylpyridine-2,6-diamine
CID 106332099

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine (CID 114071266) is 2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine is CCNc1cc([N+](=O)[O-])cc(NC2(C)CC2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine?
The InChIKey is IFKJLASPPOBYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-3-12-9-6-8(15(16)17)7-10(13-9)14-11(2)4-5-11/h6-7H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine?
2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine has a molecular weight of 236.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(1-methylcyclopropyl)-4-nitropyridine-2,6-diamine is sourced from PubChem (CID 114071266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).