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

C26H28F2N4 — CID 12979393

IUPAC5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine
SMILESCCCN(CCC)c1ncc(-c2ccc(C3CCC(c4c(F)cccc4F)=N3)cc2)cn1
InChIInChI=1S/C26H28F2N4/c1-3-14-32(15-4-2)26-29-16-20(17-30-26)18-8-10-19(11-9-18)23-12-13-24(31-23)25-21(27)6-5-7-22(25)28/h5-11,16-17,23H,3-4,12-15H2,1-2H3
InChIKeyFFAUPGHHSCZAGC-UHFFFAOYSA-N
MW434.53 g/mol
LogP6.37
Rot. Bonds8

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

5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine (PubChem CID 12979393) has the molecular formula C26H28F2N4 and a molecular weight of 434.53 g/mol. Its IUPAC name is 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine
PubChem CID12979393
Molecular FormulaC26H28F2N4
Molecular Weight434.53 g/mol
Exact Mass434.23
IUPAC Name5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine
SMILESCCCN(CCC)c1ncc(-c2ccc(C3CCC(c4c(F)cccc4F)=N3)cc2)cn1
InChIInChI=1S/C26H28F2N4/c1-3-14-32(15-4-2)26-29-16-20(17-30-26)18-8-10-19(11-9-18)23-12-13-24(31-23)25-21(27)6-5-7-22(25)28/h5-11,16-17,23H,3-4,12-15H2,1-2H3
InChIKeyFFAUPGHHSCZAGC-UHFFFAOYSA-N
XLogP6.37
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 56.37
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-dipropylpyrimidin-2-amine?
The IUPAC name of 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine (CID 12979393) is 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine.
What is the SMILES notation for 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine?
The canonical SMILES for 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine is CCCN(CCC)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-dipropylpyrimidin-2-amine?
The InChIKey is FFAUPGHHSCZAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4/c1-3-14-32(15-4-2)26-29-16-20(17-30-26)18-8-10-19(11-9-18)23-12-13-24(31-23)25-21(27)6-5-7-22(25)28/h5-11,16-17,23H,3-4,12-15H2,1-2H3.
What are the key properties of 5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine?
5-[4-[5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-N,N-dipropylpyrimidin-2-amine has a molecular weight of 434.53 g/mol, XLogP of 6.37, 8 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-dipropylpyrimidin-2-amine is sourced from PubChem (CID 12979393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).