4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine

C13H13BrClFN4O — CID 106763667

IUPAC4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(-c2ccc(Br)c(Cl)c2F)n1
InChIInChI=1S/C13H13BrClFN4O/c1-3-17-12-18-11(19-13(20-12)21-4-2)7-5-6-8(14)9(15)10(7)16/h5-6H,3-4H2,1-2H3,(H,17,18,19,20)
InChIKeyYABSPGRQSLJBHR-UHFFFAOYSA-N
MW375.63 g/mol
LogP3.92
Rot. Bonds5

About 4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine

4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 106763667) has the molecular formula C13H13BrClFN4O and a molecular weight of 375.63 g/mol. Its IUPAC name is 4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
PubChem CID106763667
Molecular FormulaC13H13BrClFN4O
Molecular Weight375.63 g/mol
Exact Mass373.99
IUPAC Name4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(-c2ccc(Br)c(Cl)c2F)n1
InChIInChI=1S/C13H13BrClFN4O/c1-3-17-12-18-11(19-13(20-12)21-4-2)7-5-6-8(14)9(15)10(7)16/h5-6H,3-4H2,1-2H3,(H,17,18,19,20)
InChIKeyYABSPGRQSLJBHR-UHFFFAOYSA-N
XLogP3.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.63
LogP ≤ 53.92
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

4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
CID 115503285
4-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-5-methylpyrimidin-2-amine
CID 106763725
4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 115505060
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82812218
2-N-(2-chloro-4-fluorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80756826
6-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 106763638
4-(2-bromophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80888661
4-ethoxy-6-(2-fluoro-3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 82812014
4-(2-bromophenyl)-N-ethyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 115503733
4-(3-bromo-5-fluorophenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 81314804
4-(4-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80887574
2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80777916

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (CID 106763667) is 4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(-c2ccc(Br)c(Cl)c2F)n1.
What is the InChIKey of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is YABSPGRQSLJBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClFN4O/c1-3-17-12-18-11(19-13(20-12)21-4-2)7-5-6-8(14)9(15)10(7)16/h5-6H,3-4H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 375.63 g/mol, XLogP of 3.92, 5 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-ethoxy-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106763667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).