5-bromo-2-chloro-4-propan-2-yloxypyrimidine

C7H8BrClN2O — CID 79076021

IUPAC5-bromo-2-chloro-4-propan-2-yloxypyrimidine
SMILESCC(C)Oc1nc(Cl)ncc1Br
InChIInChI=1S/C7H8BrClN2O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3
InChIKeyDVALKSPCJMFPRM-UHFFFAOYSA-N
MW251.51 g/mol
LogP2.68
Rot. Bonds2

About 5-bromo-2-chloro-4-propan-2-yloxypyrimidine

5-bromo-2-chloro-4-propan-2-yloxypyrimidine (PubChem CID 79076021) has the molecular formula C7H8BrClN2O and a molecular weight of 251.51 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-propan-2-yloxypyrimidine
PubChem CID79076021
Molecular FormulaC7H8BrClN2O
Molecular Weight251.51 g/mol
Exact Mass249.95
IUPAC Name5-bromo-2-chloro-4-propan-2-yloxypyrimidine
SMILESCC(C)Oc1nc(Cl)ncc1Br
InChIInChI=1S/C7H8BrClN2O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3
InChIKeyDVALKSPCJMFPRM-UHFFFAOYSA-N
XLogP2.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.51
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-propan-2-yloxypyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-propan-2-yloxypyrimidine (CID 79076021) is 5-bromo-2-chloro-4-propan-2-yloxypyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-propan-2-yloxypyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-propan-2-yloxypyrimidine is CC(C)Oc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-propan-2-yloxypyrimidine?
The InChIKey is DVALKSPCJMFPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrClN2O/c1-4(2)12-6-5(8)3-10-7(9)11-6/h3-4H,1-2H3.
What are the key properties of 5-bromo-2-chloro-4-propan-2-yloxypyrimidine?
5-bromo-2-chloro-4-propan-2-yloxypyrimidine has a molecular weight of 251.51 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-propan-2-yloxypyrimidine is sourced from PubChem (CID 79076021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).