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

C23H19FN4O — CID 23000496

IUPAC2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol
SMILESCCN(c1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1)c1ccccc1O
InChIInChI=1S/C23H19FN4O/c1-2-28(20-5-3-4-6-21(20)29)23-26-15-19(16-7-9-18(24)10-8-16)22(27-23)17-11-13-25-14-12-17/h3-15,29H,2H2,1H3
InChIKeyWVPJYJILNWVBDH-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.21
Rot. Bonds5

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

2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol (PubChem CID 23000496) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol
PubChem CID23000496
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol
SMILESCCN(c1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1)c1ccccc1O
InChIInChI=1S/C23H19FN4O/c1-2-28(20-5-3-4-6-21(20)29)23-26-15-19(16-7-9-18(24)10-8-16)22(27-23)17-11-13-25-14-12-17/h3-15,29H,2H2,1H3
InChIKeyWVPJYJILNWVBDH-UHFFFAOYSA-N
XLogP5.21
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol?
The IUPAC name of 2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol (CID 23000496) is 2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol?
The canonical SMILES for 2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol is CCN(c1ncc(-c2ccc(F)cc2)c(-c2ccncc2)n1)c1ccccc1O.
What is the InChIKey of 2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol?
The InChIKey is WVPJYJILNWVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-2-28(20-5-3-4-6-21(20)29)23-26-15-19(16-7-9-18(24)10-8-16)22(27-23)17-11-13-25-14-12-17/h3-15,29H,2H2,1H3.
What are the key properties of 2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol?
2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol has a molecular weight of 386.43 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 23000496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).