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

C13H14BrClN4O — CID 63547837

IUPACN-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)c(Br)c1
InChIInChI=1S/C13H14BrClN4O/c1-7(2)20-13-18-11(15)17-12(19-13)16-10-5-4-8(3)6-9(10)14/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyQOGIMOZBKBAKAU-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.13
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 63547837) has the molecular formula C13H14BrClN4O and a molecular weight of 357.64 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID63547837
Molecular FormulaC13H14BrClN4O
Molecular Weight357.64 g/mol
Exact Mass356.00
IUPAC NameN-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)c(Br)c1
InChIInChI=1S/C13H14BrClN4O/c1-7(2)20-13-18-11(15)17-12(19-13)16-10-5-4-8(3)6-9(10)14/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyQOGIMOZBKBAKAU-UHFFFAOYSA-N
XLogP4.13
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 63547837) is N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(Cl)nc(OC(C)C)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is QOGIMOZBKBAKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4O/c1-7(2)20-13-18-11(15)17-12(19-13)16-10-5-4-8(3)6-9(10)14/h4-7H,1-3H3,(H,16,17,18,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 357.64 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63547837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).