6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine

C11H13BrN4O — CID 106421682

IUPAC6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Br)cc(NCc2ccno2)n1
InChIInChI=1S/C11H13BrN4O/c1-7(2)11-15-9(12)5-10(16-11)13-6-8-3-4-14-17-8/h3-5,7H,6H2,1-2H3,(H,13,15,16)
InChIKeyMLGISBMBIIATRW-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.96
Rot. Bonds4

About 6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine

6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106421682) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID106421682
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Br)cc(NCc2ccno2)n1
InChIInChI=1S/C11H13BrN4O/c1-7(2)11-15-9(12)5-10(16-11)13-6-8-3-4-14-17-8/h3-5,7H,6H2,1-2H3,(H,13,15,16)
InChIKeyMLGISBMBIIATRW-UHFFFAOYSA-N
XLogP2.96
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine (CID 106421682) is 6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Br)cc(NCc2ccno2)n1.
What is the InChIKey of 6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is MLGISBMBIIATRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-7(2)11-15-9(12)5-10(16-11)13-6-8-3-4-14-17-8/h3-5,7H,6H2,1-2H3,(H,13,15,16).
What are the key properties of 6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine?
6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 297.16 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1,2-oxazol-5-ylmethyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106421682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).