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

C10H7BrClFN4O — CID 62858822

IUPACN-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C10H7BrClFN4O/c1-18-10-16-8(12)15-9(17-10)14-7-3-2-5(13)4-6(7)11/h2-4H,1H3,(H,14,15,16,17)
InChIKeyDMMMFKDZPTZMCE-UHFFFAOYSA-N
MW333.55 g/mol
LogP3.18
Rot. Bonds3

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

N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 62858822) has the molecular formula C10H7BrClFN4O and a molecular weight of 333.55 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
PubChem CID62858822
Molecular FormulaC10H7BrClFN4O
Molecular Weight333.55 g/mol
Exact Mass331.95
IUPAC NameN-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C10H7BrClFN4O/c1-18-10-16-8(12)15-9(17-10)14-7-3-2-5(13)4-6(7)11/h2-4H,1H3,(H,14,15,16,17)
InChIKeyDMMMFKDZPTZMCE-UHFFFAOYSA-N
XLogP3.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 55124358
N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859689
N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859182
4-chloro-N-(4-chloro-2-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114256288
5-bromo-2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]benzonitrile
CID 82703911
N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547837
2-N-(2-chloro-4-fluorophenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80756168
N-(2-bromo-4-fluorophenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62868310
4-chloro-6-methoxy-N-(2-methylsulfanylphenyl)-1,3,5-triazin-2-amine
CID 107645630
N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 114262303
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82819504
N-(2-bromo-4-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80912510

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine (CID 62858822) is N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(Nc2ccc(F)cc2Br)n1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is DMMMFKDZPTZMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClFN4O/c1-18-10-16-8(12)15-9(17-10)14-7-3-2-5(13)4-6(7)11/h2-4H,1H3,(H,14,15,16,17).
What are the key properties of N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 333.55 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).