6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

C17H15BrFN5O — CID 2522976

IUPAC6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(COc2ccc(Br)cc2F)n1
InChIInChI=1S/C17H15BrFN5O/c1-10-4-2-3-5-13(10)21-17-23-15(22-16(20)24-17)9-25-14-7-6-11(18)8-12(14)19/h2-8H,9H2,1H3,(H3,20,21,22,23,24)
InChIKeyFHJOCXXHDCMQEW-UHFFFAOYSA-N
MW404.24 g/mol
LogP3.99
Rot. Bonds5

About 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 2522976) has the molecular formula C17H15BrFN5O and a molecular weight of 404.24 g/mol. Its IUPAC name is 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID2522976
Molecular FormulaC17H15BrFN5O
Molecular Weight404.24 g/mol
Exact Mass403.04
IUPAC Name6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCc1ccccc1Nc1nc(N)nc(COc2ccc(Br)cc2F)n1
InChIInChI=1S/C17H15BrFN5O/c1-10-4-2-3-5-13(10)21-17-23-15(22-16(20)24-17)9-25-14-7-6-11(18)8-12(14)19/h2-8H,9H2,1H3,(H3,20,21,22,23,24)
InChIKeyFHJOCXXHDCMQEW-UHFFFAOYSA-N
XLogP3.99
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-fluorobenzoate
CID 2523878
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 3-aminopyrazine-2-carboxylate
CID 7274834
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-chloro-6-fluorobenzoate
CID 2501059
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7669424
6-[(3-fluoroanilino)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 8001525
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-but-2-enoate
CID 7663688
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-3-(3-fluorophenyl)prop-2-enoate
CID 7669879
6-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 4793369
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 7754352
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxy-4-methylsulfanylbenzoate
CID 7669489
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-amino-3,5-dichlorobenzoate
CID 18226008
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-naphthalen-1-ylacetate
CID 7889562

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine (CID 2522976) is 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is Cc1ccccc1Nc1nc(N)nc(COc2ccc(Br)cc2F)n1.
What is the InChIKey of 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FHJOCXXHDCMQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN5O/c1-10-4-2-3-5-13(10)21-17-23-15(22-16(20)24-17)9-25-14-7-6-11(18)8-12(14)19/h2-8H,9H2,1H3,(H3,20,21,22,23,24).
What are the key properties of 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine?
6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 404.24 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-fluorophenoxy)methyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2522976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).