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

C13H14BrClN4O2 — CID 82860928

IUPACN-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCOc1cc(Br)cc(Nc2nc(Cl)nc(OC(C)C)n2)c1
InChIInChI=1S/C13H14BrClN4O2/c1-7(2)21-13-18-11(15)17-12(19-13)16-9-4-8(14)5-10(6-9)20-3/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyZQNBOSRKZCYDII-UHFFFAOYSA-N
MW373.64 g/mol
LogP3.83
Rot. Bonds5

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

N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 82860928) has the molecular formula C13H14BrClN4O2 and a molecular weight of 373.64 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID82860928
Molecular FormulaC13H14BrClN4O2
Molecular Weight373.64 g/mol
Exact Mass372.00
IUPAC NameN-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCOc1cc(Br)cc(Nc2nc(Cl)nc(OC(C)C)n2)c1
InChIInChI=1S/C13H14BrClN4O2/c1-7(2)21-13-18-11(15)17-12(19-13)16-9-4-8(14)5-10(6-9)20-3/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyZQNBOSRKZCYDII-UHFFFAOYSA-N
XLogP3.83
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.64
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 82860928) is N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine is COc1cc(Br)cc(Nc2nc(Cl)nc(OC(C)C)n2)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is ZQNBOSRKZCYDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4O2/c1-7(2)21-13-18-11(15)17-12(19-13)16-9-4-8(14)5-10(6-9)20-3/h4-7H,1-3H3,(H,16,17,18,19).
What are the key properties of N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 373.64 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 82860928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).