4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

C12H11BrClFN4O — CID 106763689

IUPAC4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(-c2ccc(Br)c(Cl)c2F)n1
InChIInChI=1S/C12H11BrClFN4O/c1-5(2)20-12-18-10(17-11(16)19-12)6-3-4-7(13)8(14)9(6)15/h3-5H,1-2H3,(H2,16,17,18,19)
InChIKeyRICUMBGINLGFMA-UHFFFAOYSA-N
MW361.60 g/mol
LogP3.46
Rot. Bonds3

About 4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 106763689) has the molecular formula C12H11BrClFN4O and a molecular weight of 361.60 g/mol. Its IUPAC name is 4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID106763689
Molecular FormulaC12H11BrClFN4O
Molecular Weight361.60 g/mol
Exact Mass359.98
IUPAC Name4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(-c2ccc(Br)c(Cl)c2F)n1
InChIInChI=1S/C12H11BrClFN4O/c1-5(2)20-12-18-10(17-11(16)19-12)6-3-4-7(13)8(14)9(6)15/h3-5H,1-2H3,(H2,16,17,18,19)
InChIKeyRICUMBGINLGFMA-UHFFFAOYSA-N
XLogP3.46
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106646719
1-bromo-2-chloro-3-fluoro-4-propan-2-yloxybenzene
CID 164894461
4-(4-bromo-3-chloro-2-fluorophenyl)-6-methylpyrimidin-2-amine
CID 106763727
2-(4-bromo-3-chloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine
CID 90282675
4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 106763667
2-(4-bromo-3-chloro-2-fluorophenyl)aniline
CID 106763141
4-(3-bromo-2-fluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106646818
4-(4-bromo-3-chloro-2-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidine
CID 106763568
4-(2-methyl-4-pyridinyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 113482951
4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883341
4-(2-bromophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 115503747
2-N-(2-bromo-5-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80830555

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 106763689) is 4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(-c2ccc(Br)c(Cl)c2F)n1.
What is the InChIKey of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is RICUMBGINLGFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN4O/c1-5(2)20-12-18-10(17-11(16)19-12)6-3-4-7(13)8(14)9(6)15/h3-5H,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 361.60 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106763689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).