4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine

C10H9BrN4O — CID 115503747

IUPAC4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2ccccc2Br)n1
InChIInChI=1S/C10H9BrN4O/c1-16-10-14-8(13-9(12)15-10)6-4-2-3-5-7(6)11/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyRTOYOYVNASUFMC-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.89
Rot. Bonds2

About 4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine

4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 115503747) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine
PubChem CID115503747
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(-c2ccccc2Br)n1
InChIInChI=1S/C10H9BrN4O/c1-16-10-14-8(13-9(12)15-10)6-4-2-3-5-7(6)11/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyRTOYOYVNASUFMC-UHFFFAOYSA-N
XLogP1.89
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine (CID 115503747) is 4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine is COc1nc(N)nc(-c2ccccc2Br)n1.
What is the InChIKey of 4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is RTOYOYVNASUFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-16-10-14-8(13-9(12)15-10)6-4-2-3-5-7(6)11/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine?
4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 281.11 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 115503747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).