3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

C37H66BBrN6O2 — CID 160547432

IUPAC3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
SMILESC.C.C.C.C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1ccc(C)nc1N.Cc1ccc(Br)c(N)n1.Cc1ccc(C(C)C)c(N)n1
InChIInChI=1S/C9H17BO2.C9H14N2.C9H12N2.C6H7BrN2.4CH4/c1-7(2)10-11-8(3,4)9(5,6)12-10;2*1-6(2)8-5-4-7(3)11-9(8)10;1-4-2-3-5(7)6(8)9-4;;;;/h1H2,2-6H3;4-6H,1-3H3,(H2,10,11);4-5H,1H2,2-3H3,(H2,10,11);2-3H,1H3,(H2,8,9);4*1H4
InChIKeyQXPPAJUTHFYWPO-UHFFFAOYSA-N
MW717.69 g/mol
LogP10.57
Rot. Bonds3

About 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane

3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (PubChem CID 160547432) has the molecular formula C37H66BBrN6O2 and a molecular weight of 717.69 g/mol. Its IUPAC name is 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
PubChem CID160547432
Molecular FormulaC37H66BBrN6O2
Molecular Weight717.69 g/mol
Exact Mass716.45
IUPAC Name3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
SMILESC.C.C.C.C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1ccc(C)nc1N.Cc1ccc(Br)c(N)n1.Cc1ccc(C(C)C)c(N)n1
InChIInChI=1S/C9H17BO2.C9H14N2.C9H12N2.C6H7BrN2.4CH4/c1-7(2)10-11-8(3,4)9(5,6)12-10;2*1-6(2)8-5-4-7(3)11-9(8)10;1-4-2-3-5(7)6(8)9-4;;;;/h1H2,2-6H3;4-6H,1-3H3,(H2,10,11);4-5H,1H2,2-3H3,(H2,10,11);2-3H,1H3,(H2,8,9);4*1H4
InChIKeyQXPPAJUTHFYWPO-UHFFFAOYSA-N
XLogP10.57
TPSA135.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.69
LogP ≤ 510.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane with MolForge

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Related Compounds

3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;2-[(E)-2-ethoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162093391
4-bromopyridine-2,6-diamine;4-[(E)-1,2-diphenylethenyl]pyridine-2,6-diamine;2-[(Z)-1,2-diphenylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158871372
6-Bromopyridin-2-amine;cyclohexen-1-ylboronic acid;6-(cyclohexen-1-yl)pyridin-2-amine;bis(6-cyclohexylpyridin-2-amine)
CID 160299591
5-Bromo-6-methylpyridin-2-amine;6-methyl-5-(2-phenylethenyl)pyridin-2-amine
CID 160497584
5-Bromopyridin-2-amine;carbanide;5-(cyclohexen-1-yl)pyridin-2-amine;2-(cyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;5-cyclohexylpyridin-2-amine;methane;methanol;palladium
CID 160925449
5-Bromo-6-methylpyridin-2-amine;cyclopropylboronic acid;5-cyclopropyl-6-methylpyridin-2-amine
CID 167607695
3-Bromo-6-methylpyridin-2-amine;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
CID 167710651
N-Benzyl-3-bromo-6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyridin-2-amine
CID 72221448

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
The IUPAC name of 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane (CID 160547432) is 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane.
What is the SMILES notation for 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
The canonical SMILES for 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is C.C.C.C.C=C(C)B1OC(C)(C)C(C)(C)O1.C=C(C)c1ccc(C)nc1N.Cc1ccc(Br)c(N)n1.Cc1ccc(C(C)C)c(N)n1.
What is the InChIKey of 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
The InChIKey is QXPPAJUTHFYWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BO2.C9H14N2.C9H12N2.C6H7BrN2.4CH4/c1-7(2)10-11-8(3,4)9(5,6)12-10;2*1-6(2)8-5-4-7(3)11-9(8)10;1-4-2-3-5(7)6(8)9-4;;;;/h1H2,2-6H3;4-6H,1-3H3,(H2,10,11);4-5H,1H2,2-3H3,(H2,10,11);2-3H,1H3,(H2,8,9);4*1H4.
What are the key properties of 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane?
3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane has a molecular weight of 717.69 g/mol, XLogP of 10.57, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methylpyridin-2-amine;methane;6-methyl-3-propan-2-ylpyridin-2-amine;6-methyl-3-prop-1-en-2-ylpyridin-2-amine;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 160547432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).