1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol

C23H27N7O2 — CID 68870383

IUPAC1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
SMILESNc1ncc(-c2cc(N3CCC(O)(c4ccccc4)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H27N7O2/c24-21-25-15-17(16-26-21)19-14-20(28-22(27-19)30-10-12-32-13-11-30)29-8-6-23(31,7-9-29)18-4-2-1-3-5-18/h1-5,14-16,31H,6-13H2,(H2,24,25,26)
InChIKeyDVWAIWFZRLZYPP-UHFFFAOYSA-N
MW433.52 g/mol
LogP1.84
Rot. Bonds4

About 1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol

1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol (PubChem CID 68870383) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
PubChem CID68870383
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
SMILESNc1ncc(-c2cc(N3CCC(O)(c4ccccc4)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H27N7O2/c24-21-25-15-17(16-26-21)19-14-20(28-22(27-19)30-10-12-32-13-11-30)29-8-6-23(31,7-9-29)18-4-2-1-3-5-18/h1-5,14-16,31H,6-13H2,(H2,24,25,26)
InChIKeyDVWAIWFZRLZYPP-UHFFFAOYSA-N
XLogP1.84
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol (CID 68870383) is 1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol is Nc1ncc(-c2cc(N3CCC(O)(c4ccccc4)CC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol?
The InChIKey is DVWAIWFZRLZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2/c24-21-25-15-17(16-26-21)19-14-20(28-22(27-19)30-10-12-32-13-11-30)29-8-6-23(31,7-9-29)18-4-2-1-3-5-18/h1-5,14-16,31H,6-13H2,(H2,24,25,26).
What are the key properties of 1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol?
1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol has a molecular weight of 433.52 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 68870383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).