5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine

C7H7BrF2N2O — CID 130644863

IUPAC5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine
SMILESCc1ncc(Br)c(OCC(F)F)n1
InChIInChI=1S/C7H7BrF2N2O/c1-4-11-2-5(8)7(12-4)13-3-6(9)10/h2,6H,3H2,1H3
InChIKeySXMRNWLCQHGGQI-UHFFFAOYSA-N
MW253.05 g/mol
LogP2.19
Rot. Bonds3

About 5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine

5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine (PubChem CID 130644863) has the molecular formula C7H7BrF2N2O and a molecular weight of 253.05 g/mol. Its IUPAC name is 5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine
PubChem CID130644863
Molecular FormulaC7H7BrF2N2O
Molecular Weight253.05 g/mol
Exact Mass251.97
IUPAC Name5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine
SMILESCc1ncc(Br)c(OCC(F)F)n1
InChIInChI=1S/C7H7BrF2N2O/c1-4-11-2-5(8)7(12-4)13-3-6(9)10/h2,6H,3H2,1H3
InChIKeySXMRNWLCQHGGQI-UHFFFAOYSA-N
XLogP2.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.05
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine?
The IUPAC name of 5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine (CID 130644863) is 5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine?
The canonical SMILES for 5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine is Cc1ncc(Br)c(OCC(F)F)n1.
What is the InChIKey of 5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine?
The InChIKey is SXMRNWLCQHGGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2N2O/c1-4-11-2-5(8)7(12-4)13-3-6(9)10/h2,6H,3H2,1H3.
What are the key properties of 5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine?
5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine has a molecular weight of 253.05 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine is sourced from PubChem (CID 130644863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).