4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol

C23H19FN4O — CID 23000377

IUPAC4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C23H19FN4O/c24-19-5-3-17(4-6-19)21-15-27-23(28-22(21)18-10-12-25-13-11-18)26-14-9-16-1-7-20(29)8-2-16/h1-8,10-13,15,29H,9,14H2,(H,26,27,28)
InChIKeyKCCJWVIEGXBNAL-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.70
Rot. Bonds6

About 4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol

4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol (PubChem CID 23000377) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol
PubChem CID23000377
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C23H19FN4O/c24-19-5-3-17(4-6-19)21-15-27-23(28-22(21)18-10-12-25-13-11-18)26-14-9-16-1-7-20(29)8-2-16/h1-8,10-13,15,29H,9,14H2,(H,26,27,28)
InChIKeyKCCJWVIEGXBNAL-UHFFFAOYSA-N
XLogP4.70
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol (CID 23000377) is 4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol is Oc1ccc(CCNc2ncc(-c3ccc(F)cc3)c(-c3ccncc3)n2)cc1.
What is the InChIKey of 4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol?
The InChIKey is KCCJWVIEGXBNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-19-5-3-17(4-6-19)21-15-27-23(28-22(21)18-10-12-25-13-11-18)26-14-9-16-1-7-20(29)8-2-16/h1-8,10-13,15,29H,9,14H2,(H,26,27,28).
What are the key properties of 4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol?
4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol has a molecular weight of 386.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 23000377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).