4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine

C12H11F2N3 — CID 158331636

IUPAC4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
SMILESCCc1cc(-c2cccc(F)c2F)nc(N)n1
InChIInChI=1S/C12H11F2N3/c1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyLVYXCGIQCJMNSD-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.57
Rot. Bonds2

About 4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine

4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine (PubChem CID 158331636) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
PubChem CID158331636
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
SMILESCCc1cc(-c2cccc(F)c2F)nc(N)n1
InChIInChI=1S/C12H11F2N3/c1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14/h3-6H,2H2,1H3,(H2,15,16,17)
InChIKeyLVYXCGIQCJMNSD-UHFFFAOYSA-N
XLogP2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine?
The IUPAC name of 4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine (CID 158331636) is 4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine is CCc1cc(-c2cccc(F)c2F)nc(N)n1.
What is the InChIKey of 4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine?
The InChIKey is LVYXCGIQCJMNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c1-2-7-6-10(17-12(15)16-7)8-4-3-5-9(13)11(8)14/h3-6H,2H2,1H3,(H2,15,16,17).
What are the key properties of 4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine?
4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine has a molecular weight of 235.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 158331636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).