5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine

C14H14Br2FN3 — CID 82801275

IUPAC5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2ccc(F)c(Br)c2)nc(N)c1Br
InChIInChI=1S/C14H14Br2FN3/c1-14(2,3)11-10(16)12(18)20-13(19-11)7-4-5-9(17)8(15)6-7/h4-6H,1-3H3,(H2,18,19,20)
InChIKeyYTUAZJCEXLDIHC-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.69
Rot. Bonds1

About 5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine

5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine (PubChem CID 82801275) has the molecular formula C14H14Br2FN3 and a molecular weight of 403.09 g/mol. Its IUPAC name is 5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
PubChem CID82801275
Molecular FormulaC14H14Br2FN3
Molecular Weight403.09 g/mol
Exact Mass400.95
IUPAC Name5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine
SMILESCC(C)(C)c1nc(-c2ccc(F)c(Br)c2)nc(N)c1Br
InChIInChI=1S/C14H14Br2FN3/c1-14(2,3)11-10(16)12(18)20-13(19-11)7-4-5-9(17)8(15)6-7/h4-6H,1-3H3,(H2,18,19,20)
InChIKeyYTUAZJCEXLDIHC-UHFFFAOYSA-N
XLogP4.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine (CID 82801275) is 5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine is CC(C)(C)c1nc(-c2ccc(F)c(Br)c2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine?
The InChIKey is YTUAZJCEXLDIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2FN3/c1-14(2,3)11-10(16)12(18)20-13(19-11)7-4-5-9(17)8(15)6-7/h4-6H,1-3H3,(H2,18,19,20).
What are the key properties of 5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine?
5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine has a molecular weight of 403.09 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromo-4-fluorophenyl)-6-tert-butylpyrimidin-4-amine is sourced from PubChem (CID 82801275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).