4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine

C8H9BrF3N3 — CID 137443410

IUPAC4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)c1nc(C(F)(F)F)nc(Br)c1N
InChIInChI=1S/C8H9BrF3N3/c1-3(2)5-4(13)6(9)15-7(14-5)8(10,11)12/h3H,13H2,1-2H3
InChIKeyIURWCEDDYQHJOH-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.96
Rot. Bonds1

About 4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine

4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine (PubChem CID 137443410) has the molecular formula C8H9BrF3N3 and a molecular weight of 284.08 g/mol. Its IUPAC name is 4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine
PubChem CID137443410
Molecular FormulaC8H9BrF3N3
Molecular Weight284.08 g/mol
Exact Mass282.99
IUPAC Name4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine
SMILESCC(C)c1nc(C(F)(F)F)nc(Br)c1N
InChIInChI=1S/C8H9BrF3N3/c1-3(2)5-4(13)6(9)15-7(14-5)8(10,11)12/h3H,13H2,1-2H3
InChIKeyIURWCEDDYQHJOH-UHFFFAOYSA-N
XLogP2.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine?
The IUPAC name of 4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine (CID 137443410) is 4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine is CC(C)c1nc(C(F)(F)F)nc(Br)c1N.
What is the InChIKey of 4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine?
The InChIKey is IURWCEDDYQHJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N3/c1-3(2)5-4(13)6(9)15-7(14-5)8(10,11)12/h3H,13H2,1-2H3.
What are the key properties of 4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine?
4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine has a molecular weight of 284.08 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-propan-2-yl-2-(trifluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 137443410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).