N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine

C20H16Br2F3N3 — CID 18691320

IUPACN-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(Br)cc1Br
InChIInChI=1S/C20H16Br2F3N3/c1-3-28(18-9-8-13(21)11-16(18)22)19-26-12(2)10-17(27-19)14-6-4-5-7-15(14)20(23,24)25/h4-11H,3H2,1-2H3
InChIKeyYOJGNPZDDWDWMA-UHFFFAOYSA-N
MW515.17 g/mol
LogP7.15
Rot. Bonds4

About N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine

N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 18691320) has the molecular formula C20H16Br2F3N3 and a molecular weight of 515.17 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID18691320
Molecular FormulaC20H16Br2F3N3
Molecular Weight515.17 g/mol
Exact Mass512.97
IUPAC NameN-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(Br)cc1Br
InChIInChI=1S/C20H16Br2F3N3/c1-3-28(18-9-8-13(21)11-16(18)22)19-26-12(2)10-17(27-19)14-6-4-5-7-15(14)20(23,24)25/h4-11H,3H2,1-2H3
InChIKeyYOJGNPZDDWDWMA-UHFFFAOYSA-N
XLogP7.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.17
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 18691320) is N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine is CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is YOJGNPZDDWDWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2F3N3/c1-3-28(18-9-8-13(21)11-16(18)22)19-26-12(2)10-17(27-19)14-6-4-5-7-15(14)20(23,24)25/h4-11H,3H2,1-2H3.
What are the key properties of N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 515.17 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-N-ethyl-4-methyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 18691320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).