3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one

C25H22FN3O3 — CID 51002405

IUPAC3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one
SMILESO=C1C(c2cncnc2)=C(c2ccc(F)cc2)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C25H22FN3O3/c26-19-3-1-17(2-4-19)23-21-6-5-20(32-12-9-29-7-10-31-11-8-29)13-22(21)25(30)24(23)18-14-27-16-28-15-18/h1-6,13-16H,7-12H2
InChIKeyRDMAPIVHQFKTSH-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.48
Rot. Bonds6

About 3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one

3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one (PubChem CID 51002405) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one
PubChem CID51002405
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one
SMILESO=C1C(c2cncnc2)=C(c2ccc(F)cc2)c2ccc(OCCN3CCOCC3)cc21
InChIInChI=1S/C25H22FN3O3/c26-19-3-1-17(2-4-19)23-21-6-5-20(32-12-9-29-7-10-31-11-8-29)13-22(21)25(30)24(23)18-14-27-16-28-15-18/h1-6,13-16H,7-12H2
InChIKeyRDMAPIVHQFKTSH-UHFFFAOYSA-N
XLogP3.48
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-[(2,4-Diaminopyrimidin-5-yl)methyl]phenoxy]butyl]isoindoline-1,3-dione
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(3-Isopropoxyphenyl){1-[4-(pyrimidin-2-yloxy)benzyl]piperidin-3-yl}methanone
CID 16188221
N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 44583437
[3-[2-[2-(Dimethylamino)pyrimidin-5-yl]phenyl]piperidin-1-yl]-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 90659742
[3-[2-(2-Methoxypyrimidin-5-yl)phenyl]piperidin-1-yl]-[4-(2,2,2-trifluoroethoxy)phenyl]methanone
CID 117902696
US10308615, Example 37
CID 124112196
2-morpholino-8-(3-(pyrimidin-5-yl)phenyl)-4H-chromen-4-one
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[5-(4-Ethoxyphenyl)-2-[methyl(propyl)amino]-3-pyridinyl]-(4-fluorophenyl)methanone
CID 72712020
1-[3-(4-Methoxyphenyl)-4-(pyrimidin-2-ylmethoxy)phenyl]ethanone
CID 145984656
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CID 14495709
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one?
The IUPAC name of 3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one (CID 51002405) is 3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one is O=C1C(c2cncnc2)=C(c2ccc(F)cc2)c2ccc(OCCN3CCOCC3)cc21.
What is the InChIKey of 3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one?
The InChIKey is RDMAPIVHQFKTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c26-19-3-1-17(2-4-19)23-21-6-5-20(32-12-9-29-7-10-31-11-8-29)13-22(21)25(30)24(23)18-14-27-16-28-15-18/h1-6,13-16H,7-12H2.
What are the key properties of 3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one?
3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one has a molecular weight of 431.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyrimidin-5-ylinden-1-one is sourced from PubChem (CID 51002405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).