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

C8H11F2N3O — CID 82009220

IUPAC4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(OCC(F)F)n1
InChIInChI=1S/C8H11F2N3O/c1-2-11-8-12-4-3-7(13-8)14-5-6(9)10/h3-4,6H,2,5H2,1H3,(H,11,12,13)
InChIKeyVJUZUYUVJUFIDB-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.55
Rot. Bonds5

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

4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine (PubChem CID 82009220) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine
PubChem CID82009220
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(OCC(F)F)n1
InChIInChI=1S/C8H11F2N3O/c1-2-11-8-12-4-3-7(13-8)14-5-6(9)10/h3-4,6H,2,5H2,1H3,(H,11,12,13)
InChIKeyVJUZUYUVJUFIDB-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine (CID 82009220) is 4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine is CCNc1nccc(OCC(F)F)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine?
The InChIKey is VJUZUYUVJUFIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-2-11-8-12-4-3-7(13-8)14-5-6(9)10/h3-4,6H,2,5H2,1H3,(H,11,12,13).
What are the key properties of 4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine?
4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine has a molecular weight of 203.19 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 82009220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).