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

C20H21FN6O2 — CID 46879672

IUPAC5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
SMILESCc1ccc(Oc2cc(N3CCC(Oc4ncc(F)c(N)n4)CC3)ncn2)cc1
InChIInChI=1S/C20H21FN6O2/c1-13-2-4-14(5-3-13)28-18-10-17(24-12-25-18)27-8-6-15(7-9-27)29-20-23-11-16(21)19(22)26-20/h2-5,10-12,15H,6-9H2,1H3,(H2,22,23,26)
InChIKeyNCSBGQOLRVYHKO-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.14
Rot. Bonds5

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

5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine (PubChem CID 46879672) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
PubChem CID46879672
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
SMILESCc1ccc(Oc2cc(N3CCC(Oc4ncc(F)c(N)n4)CC3)ncn2)cc1
InChIInChI=1S/C20H21FN6O2/c1-13-2-4-14(5-3-13)28-18-10-17(24-12-25-18)27-8-6-15(7-9-27)29-20-23-11-16(21)19(22)26-20/h2-5,10-12,15H,6-9H2,1H3,(H2,22,23,26)
InChIKeyNCSBGQOLRVYHKO-UHFFFAOYSA-N
XLogP3.14
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.14
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-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine (CID 46879672) is 5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine is Cc1ccc(Oc2cc(N3CCC(Oc4ncc(F)c(N)n4)CC3)ncn2)cc1.
What is the InChIKey of 5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
The InChIKey is NCSBGQOLRVYHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-13-2-4-14(5-3-13)28-18-10-17(24-12-25-18)27-8-6-15(7-9-27)29-20-23-11-16(21)19(22)26-20/h2-5,10-12,15H,6-9H2,1H3,(H2,22,23,26).
What are the key properties of 5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine?
5-fluoro-2-[1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine has a molecular weight of 396.43 g/mol, XLogP of 3.14, 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-(4-methylphenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine is sourced from PubChem (CID 46879672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).