5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C8H9BrF3N3 — CID 79964249

IUPAC5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCc1nc(CCC(F)(F)F)nc(N)c1Br
InChIInChI=1S/C8H9BrF3N3/c1-4-6(9)7(13)15-5(14-4)2-3-8(10,11)12/h2-3H2,1H3,(H2,13,14,15)
InChIKeyDVYFQXRPFAQAEQ-UHFFFAOYSA-N
MW284.08 g/mol
LogP2.62
Rot. Bonds2

About 5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964249) has the molecular formula C8H9BrF3N3 and a molecular weight of 284.08 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964249
Molecular FormulaC8H9BrF3N3
Molecular Weight284.08 g/mol
Exact Mass282.99
IUPAC Name5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCc1nc(CCC(F)(F)F)nc(N)c1Br
InChIInChI=1S/C8H9BrF3N3/c1-4-6(9)7(13)15-5(14-4)2-3-8(10,11)12/h2-3H2,1H3,(H2,13,14,15)
InChIKeyDVYFQXRPFAQAEQ-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964249) is 5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is Cc1nc(CCC(F)(F)F)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is DVYFQXRPFAQAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3N3/c1-4-6(9)7(13)15-5(14-4)2-3-8(10,11)12/h2-3H2,1H3,(H2,13,14,15).
What are the key properties of 5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 284.08 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).