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

C12H11BrClFN4O — CID 104780303

IUPACN-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H11BrClFN4O/c1-2-5-20-12-18-10(14)17-11(19-12)16-7-3-4-9(15)8(13)6-7/h3-4,6H,2,5H2,1H3,(H,16,17,18,19)
InChIKeyMSNYIEGUULRHBQ-UHFFFAOYSA-N
MW361.60 g/mol
LogP3.96
Rot. Bonds5

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

N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 104780303) has the molecular formula C12H11BrClFN4O and a molecular weight of 361.60 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
PubChem CID104780303
Molecular FormulaC12H11BrClFN4O
Molecular Weight361.60 g/mol
Exact Mass359.98
IUPAC NameN-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H11BrClFN4O/c1-2-5-20-12-18-10(14)17-11(19-12)16-7-3-4-9(15)8(13)6-7/h3-4,6H,2,5H2,1H3,(H,16,17,18,19)
InChIKeyMSNYIEGUULRHBQ-UHFFFAOYSA-N
XLogP3.96
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.60
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 114840485
N-(4-bromo-2,5-difluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 107614894
N-(5-bromo-2-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63548891
4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869859
4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55221743
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 107617973
N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63549239
N-(2-bromo-3-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 103481042
N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 81275542
2-N-(3-bromo-4-fluorophenyl)-6-propoxypyridine-2,5-diamine
CID 104775522
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine (CID 104780303) is N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(Nc2ccc(F)c(Br)c2)n1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is MSNYIEGUULRHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClFN4O/c1-2-5-20-12-18-10(14)17-11(19-12)16-7-3-4-9(15)8(13)6-7/h3-4,6H,2,5H2,1H3,(H,16,17,18,19).
What are the key properties of N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 361.60 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 104780303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).