N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C12H10BrF3N4 — CID 15857809

IUPACN-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(NCc2ccc(Br)cc2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H10BrF3N4/c1-7-18-10(12(14,15)16)20-11(19-7)17-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,17,18,19,20)
InChIKeyKHGFQYKEJVWCOQ-UHFFFAOYSA-N
MW347.14 g/mol
LogP3.57
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine

N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 15857809) has the molecular formula C12H10BrF3N4 and a molecular weight of 347.14 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID15857809
Molecular FormulaC12H10BrF3N4
Molecular Weight347.14 g/mol
Exact Mass346.00
IUPAC NameN-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(NCc2ccc(Br)cc2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H10BrF3N4/c1-7-18-10(12(14,15)16)20-11(19-7)17-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,17,18,19,20)
InChIKeyKHGFQYKEJVWCOQ-UHFFFAOYSA-N
XLogP3.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.14
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 15857809) is N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Cc1nc(NCc2ccc(Br)cc2)nc(C(F)(F)F)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is KHGFQYKEJVWCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N4/c1-7-18-10(12(14,15)16)20-11(19-7)17-6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,17,18,19,20).
What are the key properties of N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 347.14 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 15857809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).