4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine

C12H11F2N3O — CID 80880330

IUPAC4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(Oc2cccc(F)c2F)n1
InChIInChI=1S/C12H11F2N3O/c1-2-15-12-16-7-6-10(17-12)18-9-5-3-4-8(13)11(9)14/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyOFHZFFFEAVLBLV-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.98
Rot. Bonds4

About 4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine

4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine (PubChem CID 80880330) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine
PubChem CID80880330
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(Oc2cccc(F)c2F)n1
InChIInChI=1S/C12H11F2N3O/c1-2-15-12-16-7-6-10(17-12)18-9-5-3-4-8(13)11(9)14/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyOFHZFFFEAVLBLV-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine (CID 80880330) is 4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine is CCNc1nccc(Oc2cccc(F)c2F)n1.
What is the InChIKey of 4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine?
The InChIKey is OFHZFFFEAVLBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-2-15-12-16-7-6-10(17-12)18-9-5-3-4-8(13)11(9)14/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine?
4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine has a molecular weight of 251.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80880330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).