4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine

C9H6BrClN4O — CID 80864750

IUPAC4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C9H6BrClN4O/c10-5-1-3-6(4-2-5)16-9-14-7(11)13-8(12)15-9/h1-4H,(H2,12,13,14,15)
InChIKeyMHGSHARDFIJNKO-UHFFFAOYSA-N
MW301.53 g/mol
LogP2.66
Rot. Bonds2

About 4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine

4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine (PubChem CID 80864750) has the molecular formula C9H6BrClN4O and a molecular weight of 301.53 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine
PubChem CID80864750
Molecular FormulaC9H6BrClN4O
Molecular Weight301.53 g/mol
Exact Mass299.94
IUPAC Name4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C9H6BrClN4O/c10-5-1-3-6(4-2-5)16-9-14-7(11)13-8(12)15-9/h1-4H,(H2,12,13,14,15)
InChIKeyMHGSHARDFIJNKO-UHFFFAOYSA-N
XLogP2.66
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine (CID 80864750) is 4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine?
The InChIKey is MHGSHARDFIJNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN4O/c10-5-1-3-6(4-2-5)16-9-14-7(11)13-8(12)15-9/h1-4H,(H2,12,13,14,15).
What are the key properties of 4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine?
4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine has a molecular weight of 301.53 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-6-chloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 80864750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).