5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine

C8H11BrN2O — CID 14242657

IUPAC5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(Br)cn1
InChIInChI=1S/C8H11BrN2O/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,1-3H3
InChIKeyUPKQXRBCDUBUTI-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.42
Rot. Bonds1

About 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine

5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 14242657) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID14242657
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(Br)cn1
InChIInChI=1S/C8H11BrN2O/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,1-3H3
InChIKeyUPKQXRBCDUBUTI-UHFFFAOYSA-N
XLogP2.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine (CID 14242657) is 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine is CC(C)(C)Oc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is UPKQXRBCDUBUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-8(2,3)12-7-10-4-6(9)5-11-7/h4-5H,1-3H3.
What are the key properties of 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine?
5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 231.09 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 14242657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).