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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Related Compounds

CID 106405544
CID 106405544
CID 106411993
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CID 106412037
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CID 106412142
CID 106412142
CID 106421457
CID 106421457
CID 106421574
CID 106421574
CID 135356719
CID 135356719
CID 142685956
CID 142685956
CID 50962547
CID 50962547
CID 62853163
CID 62853163
CID 86806461
CID 86806461
CID 103702863
CID 103702863

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).