6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine

C7H4BrF6N3O — CID 102723602

IUPAC6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine
SMILESNc1cc(Br)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C7H4BrF6N3O/c8-2-1-3(15)17-5(16-2)18-4(6(9,10)11)7(12,13)14/h1,4H,(H2,15,16,17)
InChIKeyWVYYHAKWEWSRAQ-UHFFFAOYSA-N
MW340.02 g/mol
LogP2.69
Rot. Bonds2

About 6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine

6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 102723602) has the molecular formula C7H4BrF6N3O and a molecular weight of 340.02 g/mol. Its IUPAC name is 6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID102723602
Molecular FormulaC7H4BrF6N3O
Molecular Weight340.02 g/mol
Exact Mass338.94
IUPAC Name6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine
SMILESNc1cc(Br)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C7H4BrF6N3O/c8-2-1-3(15)17-5(16-2)18-4(6(9,10)11)7(12,13)14/h1,4H,(H2,15,16,17)
InChIKeyWVYYHAKWEWSRAQ-UHFFFAOYSA-N
XLogP2.69
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.02
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine (CID 102723602) is 6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine is Nc1cc(Br)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is WVYYHAKWEWSRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF6N3O/c8-2-1-3(15)17-5(16-2)18-4(6(9,10)11)7(12,13)14/h1,4H,(H2,15,16,17).
What are the key properties of 6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine?
6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 340.02 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 102723602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).