3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol

C26H26FN7O2 — CID 25069482

IUPAC3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol
SMILESCN(C)c1cc(O)cc(Nc2ccc(-c3cccc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1
InChIInChI=1S/C26H26FN7O2/c1-33(2)19-12-18(13-20(35)14-19)30-17-6-7-22(28-15-17)23-4-3-5-24(31-23)25-29-16-21(27)26(32-25)34-8-10-36-11-9-34/h3-7,12-16,30,35H,8-11H2,1-2H3
InChIKeyYOGQUSWAXKANJS-UHFFFAOYSA-N
MW487.54 g/mol
LogP4.09
Rot. Bonds6

About 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol

3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol (PubChem CID 25069482) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol.

Molecular Properties

Compound Name3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol
PubChem CID25069482
Molecular FormulaC26H26FN7O2
Molecular Weight487.54 g/mol
Exact Mass487.21
IUPAC Name3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol
SMILESCN(C)c1cc(O)cc(Nc2ccc(-c3cccc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1
InChIInChI=1S/C26H26FN7O2/c1-33(2)19-12-18(13-20(35)14-19)30-17-6-7-22(28-15-17)23-4-3-5-24(31-23)25-29-16-21(27)26(32-25)34-8-10-36-11-9-34/h3-7,12-16,30,35H,8-11H2,1-2H3
InChIKeyYOGQUSWAXKANJS-UHFFFAOYSA-N
XLogP4.09
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.54
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol?
The IUPAC name of 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol (CID 25069482) is 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol.
What is the SMILES notation for 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol?
The canonical SMILES for 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol is CN(C)c1cc(O)cc(Nc2ccc(-c3cccc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1.
What is the InChIKey of 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol?
The InChIKey is YOGQUSWAXKANJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-33(2)19-12-18(13-20(35)14-19)30-17-6-7-22(28-15-17)23-4-3-5-24(31-23)25-29-16-21(27)26(32-25)34-8-10-36-11-9-34/h3-7,12-16,30,35H,8-11H2,1-2H3.
What are the key properties of 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol?
3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol has a molecular weight of 487.54 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-pyridinyl]amino]phenol is sourced from PubChem (CID 25069482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).