5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine

C24H24F2N4 — CID 58804168

IUPAC5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine
SMILESCCN(CC)c1ncc(-c2ccc(C3CCC(c4c(F)cccc4F)=N3)cc2)cn1
InChIInChI=1S/C24H24F2N4/c1-3-30(4-2)24-27-14-18(15-28-24)16-8-10-17(11-9-16)21-12-13-22(29-21)23-19(25)6-5-7-20(23)26/h5-11,14-15,21H,3-4,12-13H2,1-2H3
InChIKeyWDYDWGBZHHWTFF-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.59
Rot. Bonds6

About 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine

5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine (PubChem CID 58804168) has the molecular formula C24H24F2N4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine
PubChem CID58804168
Molecular FormulaC24H24F2N4
Molecular Weight406.48 g/mol
Exact Mass406.20
IUPAC Name5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine
SMILESCCN(CC)c1ncc(-c2ccc(C3CCC(c4c(F)cccc4F)=N3)cc2)cn1
InChIInChI=1S/C24H24F2N4/c1-3-30(4-2)24-27-14-18(15-28-24)16-8-10-17(11-9-16)21-12-13-22(29-21)23-19(25)6-5-7-20(23)26/h5-11,14-15,21H,3-4,12-13H2,1-2H3
InChIKeyWDYDWGBZHHWTFF-UHFFFAOYSA-N
XLogP5.59
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine?
The IUPAC name of 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine (CID 58804168) is 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine.
What is the SMILES notation for 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine?
The canonical SMILES for 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine is CCN(CC)c1ncc(-c2ccc(C3CCC(c4c(F)cccc4F)=N3)cc2)cn1.
What is the InChIKey of 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine?
The InChIKey is WDYDWGBZHHWTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4/c1-3-30(4-2)24-27-14-18(15-28-24)16-8-10-17(11-9-16)21-12-13-22(29-21)23-19(25)6-5-7-20(23)26/h5-11,14-15,21H,3-4,12-13H2,1-2H3.
What are the key properties of 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine?
5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine has a molecular weight of 406.48 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-diethylpyrimidin-2-amine is sourced from PubChem (CID 58804168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).