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

C19H18F2N6O2 — CID 46879755

IUPAC5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(Oc4ccccc4F)ncn3)CC2)ncc1F
InChIInChI=1S/C19H18F2N6O2/c20-13-3-1-2-4-15(13)29-17-9-16(24-11-25-17)27-7-5-12(6-8-27)28-19-23-10-14(21)18(22)26-19/h1-4,9-12H,5-8H2,(H2,22,23,26)
InChIKeyITFBUKUWLRQVQH-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.97
Rot. Bonds5

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

5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine (PubChem CID 46879755) has the molecular formula C19H18F2N6O2 and a molecular weight of 400.39 g/mol. Its IUPAC name is 5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
PubChem CID46879755
Molecular FormulaC19H18F2N6O2
Molecular Weight400.39 g/mol
Exact Mass400.15
IUPAC Name5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
SMILESNc1nc(OC2CCN(c3cc(Oc4ccccc4F)ncn3)CC2)ncc1F
InChIInChI=1S/C19H18F2N6O2/c20-13-3-1-2-4-15(13)29-17-9-16(24-11-25-17)27-7-5-12(6-8-27)28-19-23-10-14(21)18(22)26-19/h1-4,9-12H,5-8H2,(H2,22,23,26)
InChIKeyITFBUKUWLRQVQH-UHFFFAOYSA-N
XLogP2.97
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.97
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-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine (CID 46879755) is 5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine is Nc1nc(OC2CCN(c3cc(Oc4ccccc4F)ncn3)CC2)ncc1F.
What is the InChIKey of 5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The InChIKey is ITFBUKUWLRQVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2/c20-13-3-1-2-4-15(13)29-17-9-16(24-11-25-17)27-7-5-12(6-8-27)28-19-23-10-14(21)18(22)26-19/h1-4,9-12H,5-8H2,(H2,22,23,26).
What are the key properties of 5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine has a molecular weight of 400.39 g/mol, XLogP of 2.97, 5 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-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 46879755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).