5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine

C7H7BrF3N3O — CID 82956709

IUPAC5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine
SMILESNc1ncc(Br)c(OCCC(F)(F)F)n1
InChIInChI=1S/C7H7BrF3N3O/c8-4-3-13-6(12)14-5(4)15-2-1-7(9,10)11/h3H,1-2H2,(H2,12,13,14)
InChIKeyNMHVFCUQAULCAH-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.15
Rot. Bonds3

About 5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine

5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine (PubChem CID 82956709) has the molecular formula C7H7BrF3N3O and a molecular weight of 286.05 g/mol. Its IUPAC name is 5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine
PubChem CID82956709
Molecular FormulaC7H7BrF3N3O
Molecular Weight286.05 g/mol
Exact Mass284.97
IUPAC Name5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine
SMILESNc1ncc(Br)c(OCCC(F)(F)F)n1
InChIInChI=1S/C7H7BrF3N3O/c8-4-3-13-6(12)14-5(4)15-2-1-7(9,10)11/h3H,1-2H2,(H2,12,13,14)
InChIKeyNMHVFCUQAULCAH-UHFFFAOYSA-N
XLogP2.15
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine (CID 82956709) is 5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine is Nc1ncc(Br)c(OCCC(F)(F)F)n1.
What is the InChIKey of 5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine?
The InChIKey is NMHVFCUQAULCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3O/c8-4-3-13-6(12)14-5(4)15-2-1-7(9,10)11/h3H,1-2H2,(H2,12,13,14).
What are the key properties of 5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine?
5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine has a molecular weight of 286.05 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3,3,3-trifluoropropoxy)pyrimidin-2-amine is sourced from PubChem (CID 82956709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).