1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C11H14BrN5 — CID 732267

IUPAC1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(Br)cc1
InChIInChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKeyLLRTYNPSGQWCLZ-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.63
Rot. Bonds1

About 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 732267) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID732267
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC1(C)N=C(N)N=C(N)N1c1ccc(Br)cc1
InChIInChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKeyLLRTYNPSGQWCLZ-UHFFFAOYSA-N
XLogP1.63
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 732267) is 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CC1(C)N=C(N)N=C(N)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LLRTYNPSGQWCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16).
What are the key properties of 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 296.17 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 732267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).