N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine

C14H13BrF3N3 — CID 18323826

IUPACN-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)c2ccc(C(F)(F)F)cc2Br)n1
InChIInChI=1S/C14H13BrF3N3/c1-8-6-9(2)20-13(19-8)21(3)12-5-4-10(7-11(12)15)14(16,17)18/h4-7H,1-3H3
InChIKeyMXRMYSLQSZCSIR-UHFFFAOYSA-N
MW360.18 g/mol
LogP4.64
Rot. Bonds2

About N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine

N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 18323826) has the molecular formula C14H13BrF3N3 and a molecular weight of 360.18 g/mol. Its IUPAC name is N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine
PubChem CID18323826
Molecular FormulaC14H13BrF3N3
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC NameN-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)c2ccc(C(F)(F)F)cc2Br)n1
InChIInChI=1S/C14H13BrF3N3/c1-8-6-9(2)20-13(19-8)21(3)12-5-4-10(7-11(12)15)14(16,17)18/h4-7H,1-3H3
InChIKeyMXRMYSLQSZCSIR-UHFFFAOYSA-N
XLogP4.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine (CID 18323826) is N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine is Cc1cc(C)nc(N(C)c2ccc(C(F)(F)F)cc2Br)n1.
What is the InChIKey of N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is MXRMYSLQSZCSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3N3/c1-8-6-9(2)20-13(19-8)21(3)12-5-4-10(7-11(12)15)14(16,17)18/h4-7H,1-3H3.
What are the key properties of N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine?
N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 360.18 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 18323826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).