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

C25H25FN8O2 — CID 25070127

IUPAC3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol
SMILESCN(C)c1cc(O)cc(Nc2ccc(-c3cncc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1
InChIInChI=1S/C25H25FN8O2/c1-33(2)18-9-17(10-19(35)11-18)30-16-3-4-21(28-12-16)22-14-27-15-23(31-22)24-29-13-20(26)25(32-24)34-5-7-36-8-6-34/h3-4,9-15,30,35H,5-8H2,1-2H3
InChIKeyKDKBFRFGWORASY-UHFFFAOYSA-N
MW488.53 g/mol
LogP3.49
Rot. Bonds6

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

3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol (PubChem CID 25070127) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol.

Molecular Properties

Compound Name3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol
PubChem CID25070127
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Name3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol
SMILESCN(C)c1cc(O)cc(Nc2ccc(-c3cncc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1
InChIInChI=1S/C25H25FN8O2/c1-33(2)18-9-17(10-19(35)11-18)30-16-3-4-21(28-12-16)22-14-27-15-23(31-22)24-29-13-20(26)25(32-24)34-5-7-36-8-6-34/h3-4,9-15,30,35H,5-8H2,1-2H3
InChIKeyKDKBFRFGWORASY-UHFFFAOYSA-N
XLogP3.49
TPSA112.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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)pyrazin-2-yl]-3-pyridinyl]amino]phenol?
The IUPAC name of 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol (CID 25070127) is 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol.
What is the SMILES notation for 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol?
The canonical SMILES for 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol is CN(C)c1cc(O)cc(Nc2ccc(-c3cncc(-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)pyrazin-2-yl]-3-pyridinyl]amino]phenol?
The InChIKey is KDKBFRFGWORASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-33(2)18-9-17(10-19(35)11-18)30-16-3-4-21(28-12-16)22-14-27-15-23(31-22)24-29-13-20(26)25(32-24)34-5-7-36-8-6-34/h3-4,9-15,30,35H,5-8H2,1-2H3.
What are the key properties of 3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol?
3-(dimethylamino)-5-[[6-[6-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrazin-2-yl]-3-pyridinyl]amino]phenol has a molecular weight of 488.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 10 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)pyrazin-2-yl]-3-pyridinyl]amino]phenol is sourced from PubChem (CID 25070127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).