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

C11H15BrF3N3 — CID 79964420

IUPAC5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCCNc1nc(CCC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C11H15BrF3N3/c1-3-6-16-10-9(12)7(2)17-8(18-10)4-5-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18)
InChIKeyNZKNBUITSZJEAO-UHFFFAOYSA-N
MW326.16 g/mol
LogP3.86
Rot. Bonds5

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

5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964420) has the molecular formula C11H15BrF3N3 and a molecular weight of 326.16 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964420
Molecular FormulaC11H15BrF3N3
Molecular Weight326.16 g/mol
Exact Mass325.04
IUPAC Name5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCCNc1nc(CCC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C11H15BrF3N3/c1-3-6-16-10-9(12)7(2)17-8(18-10)4-5-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18)
InChIKeyNZKNBUITSZJEAO-UHFFFAOYSA-N
XLogP3.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 53.86
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-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964420) is 5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCCNc1nc(CCC(F)(F)F)nc(C)c1Br.
What is the InChIKey of 5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is NZKNBUITSZJEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3N3/c1-3-6-16-10-9(12)7(2)17-8(18-10)4-5-11(13,14)15/h3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 326.16 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).