N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine

C11H9BrClFN4O — CID 62859499

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C11H9BrClFN4O/c1-19-11-17-9(13)16-10(18-11)15-5-6-4-7(12)2-3-8(6)14/h2-4H,5H2,1H3,(H,15,16,17,18)
InChIKeyJEUWEFIUPNFUSS-UHFFFAOYSA-N
MW347.58 g/mol
LogP3.05
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 62859499) has the molecular formula C11H9BrClFN4O and a molecular weight of 347.58 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine
PubChem CID62859499
Molecular FormulaC11H9BrClFN4O
Molecular Weight347.58 g/mol
Exact Mass345.96
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C11H9BrClFN4O/c1-19-11-17-9(13)16-10(18-11)15-5-6-4-7(12)2-3-8(6)14/h2-4H,5H2,1H3,(H,15,16,17,18)
InChIKeyJEUWEFIUPNFUSS-UHFFFAOYSA-N
XLogP3.05
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine (CID 62859499) is N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCc2cc(Br)ccc2F)n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is JEUWEFIUPNFUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClFN4O/c1-19-11-17-9(13)16-10(18-11)15-5-6-4-7(12)2-3-8(6)14/h2-4H,5H2,1H3,(H,15,16,17,18).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 347.58 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).