N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine

C32H37Br3N6 — CID 158759465

IUPACN-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine
SMILESBrc1cccc(Br)n1.CC.Cc1cccc(Br)n1.Cc1cccc(N)n1.Cc1cccc(NCc2ccccc2)n1
InChIInChI=1S/C13H14N2.C6H6BrN.C6H8N2.C5H3Br2N.C2H6/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12;2*1-5-3-2-4-6(7)8-5;6-4-2-1-3-5(7)8-4;1-2/h2-9H,10H2,1H3,(H,14,15);2-4H,1H3;2-4H,1H3,(H2,7,8);1-3H;1-2H3
InChIKeyIOMBUJFMEJOMBC-UHFFFAOYSA-N
MW745.40 g/mol
LogP9.76
Rot. Bonds3

About N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine

N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine (PubChem CID 158759465) has the molecular formula C32H37Br3N6 and a molecular weight of 745.40 g/mol. Its IUPAC name is N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine
PubChem CID158759465
Molecular FormulaC32H37Br3N6
Molecular Weight745.40 g/mol
Exact Mass742.06
IUPAC NameN-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine
SMILESBrc1cccc(Br)n1.CC.Cc1cccc(Br)n1.Cc1cccc(N)n1.Cc1cccc(NCc2ccccc2)n1
InChIInChI=1S/C13H14N2.C6H6BrN.C6H8N2.C5H3Br2N.C2H6/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12;2*1-5-3-2-4-6(7)8-5;6-4-2-1-3-5(7)8-4;1-2/h2-9H,10H2,1H3,(H,14,15);2-4H,1H3;2-4H,1H3,(H2,7,8);1-3H;1-2H3
InChIKeyIOMBUJFMEJOMBC-UHFFFAOYSA-N
XLogP9.76
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.40
LogP ≤ 59.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(6-bromo-2-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine;diphenylmethanimine;1,1-diphenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]methanimine
CID 157538871
2-N-benzyl-6-N-[6-[[6-(benzylamino)-2-pyridinyl]amino]-2-pyridinyl]pyridine-2,6-diamine
CID 101179084
1,3-Bis(6-methyl-2-pyridylimino)-2,3-dihydro-1H-isoindoline
CID 139071661
2-N,6-N-dibenzylpyridine-2,6-diamine
CID 139119937
2-N-benzyl-6-N-[6-(benzylamino)-2-pyridinyl]pyridine-2,6-diamine
CID 139119939
5-bromo-N-(1,3-diphenylprop-2-ynyl)-6-methylpyridin-2-amine
CID 176424553
1-[(4-Bromo-2-fluorophenyl)methyl]-2-methyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]guanidine
CID 111978414
2-[(4-Bromo-2-fluorophenyl)methyl]-1-ethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]guanidine
CID 111978418
1-[(4-Bromo-3-fluorophenyl)methyl]-2-methyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]guanidine
CID 112152585
2-[(4-Bromo-3-fluorophenyl)methyl]-1-ethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]guanidine
CID 112152589
6-(5-bromo-3-pyridinyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 4523116
6-[1-(6-Bromo-2-pyridinyl)-2,2-dipyridin-3-ylethyl]pyridin-2-amine
CID 57794990

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine?
The IUPAC name of N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine (CID 158759465) is N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine.
What is the SMILES notation for N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine?
The canonical SMILES for N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine is Brc1cccc(Br)n1.CC.Cc1cccc(Br)n1.Cc1cccc(N)n1.Cc1cccc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine?
The InChIKey is IOMBUJFMEJOMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C6H6BrN.C6H8N2.C5H3Br2N.C2H6/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12;2*1-5-3-2-4-6(7)8-5;6-4-2-1-3-5(7)8-4;1-2/h2-9H,10H2,1H3,(H,14,15);2-4H,1H3;2-4H,1H3,(H2,7,8);1-3H;1-2H3.
What are the key properties of N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine?
N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine has a molecular weight of 745.40 g/mol, XLogP of 9.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methylpyridin-2-amine;2-bromo-6-methylpyridine;2,6-dibromopyridine;ethane;6-methylpyridin-2-amine is sourced from PubChem (CID 158759465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).