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

C10H10BrN5 — CID 45483606

IUPAC2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C10H10BrN5/c1-6-13-9(12)16-10(14-6)15-8-4-2-3-7(11)5-8/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyBGUXIMMMEXKGNF-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.27
Rot. Bonds2

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

2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 45483606) has the molecular formula C10H10BrN5 and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID45483606
Molecular FormulaC10H10BrN5
Molecular Weight280.13 g/mol
Exact Mass279.01
IUPAC Name2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C10H10BrN5/c1-6-13-9(12)16-10(14-6)15-8-4-2-3-7(11)5-8/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyBGUXIMMMEXKGNF-UHFFFAOYSA-N
XLogP2.27
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine (CID 45483606) is 2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(Nc2cccc(Br)c2)n1.
What is the InChIKey of 2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BGUXIMMMEXKGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5/c1-6-13-9(12)16-10(14-6)15-8-4-2-3-7(11)5-8/h2-5H,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 280.13 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 45483606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).