5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine

C9H13BrN2O2 — CID 103489533

IUPAC5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine
SMILESCCOCC(C)Oc1ncc(Br)cn1
InChIInChI=1S/C9H13BrN2O2/c1-3-13-6-7(2)14-9-11-4-8(10)5-12-9/h4-5,7H,3,6H2,1-2H3
InChIKeyXPHGAKNDEVQPOC-UHFFFAOYSA-N
MW261.12 g/mol
LogP2.04
Rot. Bonds5

About 5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine

5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine (PubChem CID 103489533) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine
PubChem CID103489533
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine
SMILESCCOCC(C)Oc1ncc(Br)cn1
InChIInChI=1S/C9H13BrN2O2/c1-3-13-6-7(2)14-9-11-4-8(10)5-12-9/h4-5,7H,3,6H2,1-2H3
InChIKeyXPHGAKNDEVQPOC-UHFFFAOYSA-N
XLogP2.04
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine?
The IUPAC name of 5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine (CID 103489533) is 5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine is CCOCC(C)Oc1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine?
The InChIKey is XPHGAKNDEVQPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-3-13-6-7(2)14-9-11-4-8(10)5-12-9/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine?
5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine has a molecular weight of 261.12 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-ethoxypropan-2-yloxy)pyrimidine is sourced from PubChem (CID 103489533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).