1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone

C20H25N5O3 — CID 52943884

IUPAC1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3cccc(O)c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H25N5O3/c1-15(26)23-5-7-24(8-6-23)19-14-18(16-3-2-4-17(27)13-16)21-20(22-19)25-9-11-28-12-10-25/h2-4,13-14,27H,5-12H2,1H3
InChIKeyWZFXMNAZJJHQFB-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.35
Rot. Bonds3

About 1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 52943884) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID52943884
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3cccc(O)c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C20H25N5O3/c1-15(26)23-5-7-24(8-6-23)19-14-18(16-3-2-4-17(27)13-16)21-20(22-19)25-9-11-28-12-10-25/h2-4,13-14,27H,5-12H2,1H3
InChIKeyWZFXMNAZJJHQFB-UHFFFAOYSA-N
XLogP1.35
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 52943884) is 1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(-c3cccc(O)c3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is WZFXMNAZJJHQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15(26)23-5-7-24(8-6-23)19-14-18(16-3-2-4-17(27)13-16)21-20(22-19)25-9-11-28-12-10-25/h2-4,13-14,27H,5-12H2,1H3.
What are the key properties of 1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 383.45 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 52943884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).