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

C7H7BrF3N3O — CID 116797954

IUPAC6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCC(Oc1nc(N)cc(Br)n1)C(F)(F)F
InChIInChI=1S/C7H7BrF3N3O/c1-3(7(9,10)11)15-6-13-4(8)2-5(12)14-6/h2-3H,1H3,(H2,12,13,14)
InChIKeyKATSSVOBCBAKFT-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.15
Rot. Bonds2

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

6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (PubChem CID 116797954) has the molecular formula C7H7BrF3N3O and a molecular weight of 286.05 g/mol. Its IUPAC name is 6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
PubChem CID116797954
Molecular FormulaC7H7BrF3N3O
Molecular Weight286.05 g/mol
Exact Mass284.97
IUPAC Name6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
SMILESCC(Oc1nc(N)cc(Br)n1)C(F)(F)F
InChIInChI=1S/C7H7BrF3N3O/c1-3(7(9,10)11)15-6-13-4(8)2-5(12)14-6/h2-3H,1H3,(H2,12,13,14)
InChIKeyKATSSVOBCBAKFT-UHFFFAOYSA-N
XLogP2.15
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 52.15
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-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The IUPAC name of 6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine (CID 116797954) is 6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The canonical SMILES for 6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine is CC(Oc1nc(N)cc(Br)n1)C(F)(F)F.
What is the InChIKey of 6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
The InChIKey is KATSSVOBCBAKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3O/c1-3(7(9,10)11)15-6-13-4(8)2-5(12)14-6/h2-3H,1H3,(H2,12,13,14).
What are the key properties of 6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine?
6-bromo-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine has a molecular weight of 286.05 g/mol, XLogP of 2.15, 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-trifluoropropan-2-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 116797954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).