5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine

C8H10BrF2N3O — CID 82009473

IUPAC5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OCC(F)F)n1
InChIInChI=1S/C8H10BrF2N3O/c1-2-12-8-13-3-5(9)7(14-8)15-4-6(10)11/h3,6H,2,4H2,1H3,(H,12,13,14)
InChIKeyUQQICOPWZREVQD-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.31
Rot. Bonds5

About 5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine

5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine (PubChem CID 82009473) has the molecular formula C8H10BrF2N3O and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine
PubChem CID82009473
Molecular FormulaC8H10BrF2N3O
Molecular Weight282.09 g/mol
Exact Mass281.00
IUPAC Name5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(OCC(F)F)n1
InChIInChI=1S/C8H10BrF2N3O/c1-2-12-8-13-3-5(9)7(14-8)15-4-6(10)11/h3,6H,2,4H2,1H3,(H,12,13,14)
InChIKeyUQQICOPWZREVQD-UHFFFAOYSA-N
XLogP2.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine (CID 82009473) is 5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine is CCNc1ncc(Br)c(OCC(F)F)n1.
What is the InChIKey of 5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine?
The InChIKey is UQQICOPWZREVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2N3O/c1-2-12-8-13-3-5(9)7(14-8)15-4-6(10)11/h3,6H,2,4H2,1H3,(H,12,13,14).
What are the key properties of 5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine?
5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine has a molecular weight of 282.09 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 82009473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).