2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine

C10H10BrN5 — CID 2730219

IUPAC2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Br)ccc1Nc1ncnc(N)n1
InChIInChI=1S/C10H10BrN5/c1-6-4-7(11)2-3-8(6)15-10-14-5-13-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyFIMUTDIDLVAKJE-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.27
Rot. Bonds2

About 2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine

2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2730219) has the molecular formula C10H10BrN5 and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2730219
Molecular FormulaC10H10BrN5
Molecular Weight280.13 g/mol
Exact Mass279.01
IUPAC Name2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Br)ccc1Nc1ncnc(N)n1
InChIInChI=1S/C10H10BrN5/c1-6-4-7(11)2-3-8(6)15-10-14-5-13-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16)
InChIKeyFIMUTDIDLVAKJE-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-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 2730219) is 2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1cc(Br)ccc1Nc1ncnc(N)n1.
What is the InChIKey of 2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FIMUTDIDLVAKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5/c1-6-4-7(11)2-3-8(6)15-10-14-5-13-9(12)16-10/h2-5H,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-bromo-2-methylphenyl)-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-(4-bromo-2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2730219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).