6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

C11H14BrN5O — CID 106405527

IUPAC6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Br)cc(NCCc2ncno2)n1
InChIInChI=1S/C11H14BrN5O/c1-7(2)11-16-8(12)5-9(17-11)13-4-3-10-14-6-15-18-10/h5-7H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyJFBPELRGOJSBHU-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.40
Rot. Bonds5

About 6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106405527) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID106405527
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Br)cc(NCCc2ncno2)n1
InChIInChI=1S/C11H14BrN5O/c1-7(2)11-16-8(12)5-9(17-11)13-4-3-10-14-6-15-18-10/h5-7H,3-4H2,1-2H3,(H,13,16,17)
InChIKeyJFBPELRGOJSBHU-UHFFFAOYSA-N
XLogP2.40
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (CID 106405527) is 6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Br)cc(NCCc2ncno2)n1.
What is the InChIKey of 6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is JFBPELRGOJSBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-7(2)11-16-8(12)5-9(17-11)13-4-3-10-14-6-15-18-10/h5-7H,3-4H2,1-2H3,(H,13,16,17).
What are the key properties of 6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 312.17 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106405527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).