2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide

C18H22FN5O3 — CID 122327933

IUPAC2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C18H22FN5O3/c19-14-1-3-15(4-2-14)27-12-18(25)21-6-5-20-16-11-17(23-13-22-16)24-7-9-26-10-8-24/h1-4,11,13H,5-10,12H2,(H,21,25)(H,20,22,23)
InChIKeyASPJCBHVQBPQAR-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.06
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide

2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 122327933) has the molecular formula C18H22FN5O3 and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID122327933
Molecular FormulaC18H22FN5O3
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCCNc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C18H22FN5O3/c19-14-1-3-15(4-2-14)27-12-18(25)21-6-5-20-16-11-17(23-13-22-16)24-7-9-26-10-8-24/h1-4,11,13H,5-10,12H2,(H,21,25)(H,20,22,23)
InChIKeyASPJCBHVQBPQAR-UHFFFAOYSA-N
XLogP1.06
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-fluorophenoxy)acetamide
CID 122289605
1-(2,5-difluorophenyl)-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122327886
2-cyclopropyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327986
N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-4-(trifluoromethoxy)benzamide
CID 122327974
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327950
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988
3-(3-chlorophenyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122327995
4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328012
4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328145
2-(1-adamantyl)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122327983
1-(3-fluoro-4-methylphenyl)-3-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 56921964
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide (CID 122327933) is 2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide is O=C(COc1ccc(F)cc1)NCCNc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is ASPJCBHVQBPQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O3/c19-14-1-3-15(4-2-14)27-12-18(25)21-6-5-20-16-11-17(23-13-22-16)24-7-9-26-10-8-24/h1-4,11,13H,5-10,12H2,(H,21,25)(H,20,22,23).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 375.40 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122327933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).