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

C10H13BrF3N3 — CID 79964335

IUPAC5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C10H13BrF3N3/c1-3-15-9-8(11)6(2)16-7(17-9)4-5-10(12,13)14/h3-5H2,1-2H3,(H,15,16,17)
InChIKeyXLBOKHYFHDZMGC-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.47
Rot. Bonds4

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

5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79964335) has the molecular formula C10H13BrF3N3 and a molecular weight of 312.13 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79964335
Molecular FormulaC10H13BrF3N3
Molecular Weight312.13 g/mol
Exact Mass311.02
IUPAC Name5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCCNc1nc(CCC(F)(F)F)nc(C)c1Br
InChIInChI=1S/C10H13BrF3N3/c1-3-15-9-8(11)6(2)16-7(17-9)4-5-10(12,13)14/h3-5H2,1-2H3,(H,15,16,17)
InChIKeyXLBOKHYFHDZMGC-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79964335) is 5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CCNc1nc(CCC(F)(F)F)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is XLBOKHYFHDZMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3/c1-3-15-9-8(11)6(2)16-7(17-9)4-5-10(12,13)14/h3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 312.13 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79964335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).