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

C25H25FN8O2 — CID 25069803

IUPAC3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol
SMILESCN(C)c1cc(O)cc(Nc2ccc(-c3ccnc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1
InChIInChI=1S/C25H25FN8O2/c1-33(2)18-11-17(12-19(35)13-18)30-16-3-4-21(28-14-16)22-5-6-27-23(31-22)24-29-15-20(26)25(32-24)34-7-9-36-10-8-34/h3-6,11-15,30,35H,7-10H2,1-2H3
InChIKeyYLXSHOPJPHNWNJ-UHFFFAOYSA-N
MW488.53 g/mol
LogP3.49
Rot. Bonds6

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

3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol (PubChem CID 25069803) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol.

Molecular Properties

Compound Name3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol
PubChem CID25069803
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Name3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol
SMILESCN(C)c1cc(O)cc(Nc2ccc(-c3ccnc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1
InChIInChI=1S/C25H25FN8O2/c1-33(2)18-11-17(12-19(35)13-18)30-16-3-4-21(28-14-16)22-5-6-27-23(31-22)24-29-15-20(26)25(32-24)34-7-9-36-10-8-34/h3-6,11-15,30,35H,7-10H2,1-2H3
InChIKeyYLXSHOPJPHNWNJ-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-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol?
The IUPAC name of 3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol (CID 25069803) is 3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol.
What is the SMILES notation for 3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol?
The canonical SMILES for 3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol is CN(C)c1cc(O)cc(Nc2ccc(-c3ccnc(-c4ncc(F)c(N5CCOCC5)n4)n3)nc2)c1.
What is the InChIKey of 3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol?
The InChIKey is YLXSHOPJPHNWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-33(2)18-11-17(12-19(35)13-18)30-16-3-4-21(28-14-16)22-5-6-27-23(31-22)24-29-15-20(26)25(32-24)34-7-9-36-10-8-34/h3-6,11-15,30,35H,7-10H2,1-2H3.
What are the key properties of 3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol?
3-(dimethylamino)-5-[[6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-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-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)pyrimidin-4-yl]-3-pyridinyl]amino]phenol is sourced from PubChem (CID 25069803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).