6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine

C12H18N4O2 — CID 114071063

IUPAC6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine
SMILESCCCN(c1cc([N+](=O)[O-])cc(NC)n1)C1CC1
InChIInChI=1S/C12H18N4O2/c1-3-6-15(9-4-5-9)12-8-10(16(17)18)7-11(13-2)14-12/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyVCZKPFSUJAZDIS-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.41
Rot. Bonds6

About 6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine

6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine (PubChem CID 114071063) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine
PubChem CID114071063
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine
SMILESCCCN(c1cc([N+](=O)[O-])cc(NC)n1)C1CC1
InChIInChI=1S/C12H18N4O2/c1-3-6-15(9-4-5-9)12-8-10(16(17)18)7-11(13-2)14-12/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyVCZKPFSUJAZDIS-UHFFFAOYSA-N
XLogP2.41
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
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

4-N-cyclopropyl-6-N-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80967223
6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine
CID 114071065
2-[(6-chloro-4-nitro-2-pyridinyl)-cyclobutylamino]ethanol
CID 102675312
6-N-(cyclopropylmethyl)-2-N-ethyl-4-nitropyridine-2,6-diamine
CID 114071044
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954276
6-N-(3-cyclopentylpropyl)-2-N-methyl-4-nitropyridine-2,6-diamine
CID 106014998
4-N-(3-bromo-5-nitro-2-pyridinyl)-4-N-propylcyclohexane-1,4-diamine
CID 79531137
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol
CID 114071210
6-(2-cyclobutylethoxy)-N-methyl-4-nitropyridin-2-amine
CID 114158243
4-N-(5-nitropyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79111606
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80808313

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine (CID 114071063) is 6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine is CCCN(c1cc([N+](=O)[O-])cc(NC)n1)C1CC1.
What is the InChIKey of 6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine?
The InChIKey is VCZKPFSUJAZDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-6-15(9-4-5-9)12-8-10(16(17)18)7-11(13-2)14-12/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine?
6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine has a molecular weight of 250.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-2-N-methyl-4-nitro-6-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 114071063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).