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

C10H7BrClIN4O — CID 114262303

IUPACN-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2ccc(I)c(Br)c2)n1
InChIInChI=1S/C10H7BrClIN4O/c1-18-10-16-8(12)15-9(17-10)14-5-2-3-7(13)6(11)4-5/h2-4H,1H3,(H,14,15,16,17)
InChIKeyUFERQUYBSZTRHM-UHFFFAOYSA-N
MW441.45 g/mol
LogP3.64
Rot. Bonds3

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

N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 114262303) has the molecular formula C10H7BrClIN4O and a molecular weight of 441.45 g/mol. Its IUPAC name is N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
PubChem CID114262303
Molecular FormulaC10H7BrClIN4O
Molecular Weight441.45 g/mol
Exact Mass439.85
IUPAC NameN-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2ccc(I)c(Br)c2)n1
InChIInChI=1S/C10H7BrClIN4O/c1-18-10-16-8(12)15-9(17-10)14-5-2-3-7(13)6(11)4-5/h2-4H,1H3,(H,14,15,16,17)
InChIKeyUFERQUYBSZTRHM-UHFFFAOYSA-N
XLogP3.64
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
CID 59860984
5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]isoindole-1,3-dione
CID 62858487
N-(3-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547878
N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62858822
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 62857159
N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859182
N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 104780303
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
2-N,6-N-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyridine-2,6-diamine
CID 102286750
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine (CID 114262303) is N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(Nc2ccc(I)c(Br)c2)n1.
What is the InChIKey of N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is UFERQUYBSZTRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClIN4O/c1-18-10-16-8(12)15-9(17-10)14-5-2-3-7(13)6(11)4-5/h2-4H,1H3,(H,14,15,16,17).
What are the key properties of N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 441.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 114262303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).