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

C20H20F2N6O3 — CID 25026285

IUPAC5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
SMILESCOc1ccc(Oc2ncnc(N3CCC(Oc4ncc(F)c(N)n4)CC3)c2F)cc1
InChIInChI=1S/C20H20F2N6O3/c1-29-12-2-4-13(5-3-12)30-19-16(22)18(25-11-26-19)28-8-6-14(7-9-28)31-20-24-10-15(21)17(23)27-20/h2-5,10-11,14H,6-9H2,1H3,(H2,23,24,27)
InChIKeyUDVBFHPKSIMPAJ-UHFFFAOYSA-N
MW430.42 g/mol
LogP2.98
Rot. Bonds6

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

5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine (PubChem CID 25026285) has the molecular formula C20H20F2N6O3 and a molecular weight of 430.42 g/mol. Its IUPAC name is 5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
PubChem CID25026285
Molecular FormulaC20H20F2N6O3
Molecular Weight430.42 g/mol
Exact Mass430.16
IUPAC Name5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
SMILESCOc1ccc(Oc2ncnc(N3CCC(Oc4ncc(F)c(N)n4)CC3)c2F)cc1
InChIInChI=1S/C20H20F2N6O3/c1-29-12-2-4-13(5-3-12)30-19-16(22)18(25-11-26-19)28-8-6-14(7-9-28)31-20-24-10-15(21)17(23)27-20/h2-5,10-11,14H,6-9H2,1H3,(H2,23,24,27)
InChIKeyUDVBFHPKSIMPAJ-UHFFFAOYSA-N
XLogP2.98
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine (CID 25026285) is 5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine is COc1ccc(Oc2ncnc(N3CCC(Oc4ncc(F)c(N)n4)CC3)c2F)cc1.
What is the InChIKey of 5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The InChIKey is UDVBFHPKSIMPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O3/c1-29-12-2-4-13(5-3-12)30-19-16(22)18(25-11-26-19)28-8-6-14(7-9-28)31-20-24-10-15(21)17(23)27-20/h2-5,10-11,14H,6-9H2,1H3,(H2,23,24,27).
What are the key properties of 5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine has a molecular weight of 430.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[5-fluoro-6-(4-methoxyphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 25026285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).