5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine

C25H23FN6O2 — CID 46879717

IUPAC5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(Oc4ccccc4-c4ccccc4)ncn3)CC2)ncc1F
InChIInChI=1S/C25H23FN6O2/c26-20-15-28-25(31-24(20)27)33-18-10-12-32(13-11-18)22-14-23(30-16-29-22)34-21-9-5-4-8-19(21)17-6-2-1-3-7-17/h1-9,14-16,18H,10-13H2,(H2,27,28,31)
InChIKeyHDEIPIHLEBSLGL-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.49
Rot. Bonds6

About 5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine

5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine (PubChem CID 46879717) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is 5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
PubChem CID46879717
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(Oc4ccccc4-c4ccccc4)ncn3)CC2)ncc1F
InChIInChI=1S/C25H23FN6O2/c26-20-15-28-25(31-24(20)27)33-18-10-12-32(13-11-18)22-14-23(30-16-29-22)34-21-9-5-4-8-19(21)17-6-2-1-3-7-17/h1-9,14-16,18H,10-13H2,(H2,27,28,31)
InChIKeyHDEIPIHLEBSLGL-UHFFFAOYSA-N
XLogP4.49
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine (CID 46879717) is 5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine is Nc1nc(OC2CCN(c3cc(Oc4ccccc4-c4ccccc4)ncn3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The InChIKey is HDEIPIHLEBSLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c26-20-15-28-25(31-24(20)27)33-18-10-12-32(13-11-18)22-14-23(30-16-29-22)34-21-9-5-4-8-19(21)17-6-2-1-3-7-17/h1-9,14-16,18H,10-13H2,(H2,27,28,31).
What are the key properties of 5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine has a molecular weight of 458.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[6-(2-phenylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 46879717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).