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

C11H14BrN5 — CID 752521

IUPAC2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1
InChIInChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16,17)
InChIKeyODCAEXNEGXTNBY-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.87
Rot. Bonds1

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

2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine (PubChem CID 752521) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
PubChem CID752521
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC Name2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine
SMILESCC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1
InChIInChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16,17)
InChIKeyODCAEXNEGXTNBY-UHFFFAOYSA-N
XLogP1.87
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine (CID 752521) is 2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine is CC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1.
What is the InChIKey of 2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
The InChIKey is ODCAEXNEGXTNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(17-11)14-8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine?
2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine has a molecular weight of 296.17 g/mol, XLogP of 1.87, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-4,4-dimethyl-1H-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 752521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).