[1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone

C20H22FN3O2 — CID 110116390

IUPAC[1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(CCc2ccncn2)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C20H22FN3O2/c21-18-4-2-1-3-17(18)20(8-9-20)19(25)24-11-12-26-16(13-24)6-5-15-7-10-22-14-23-15/h1-4,7,10,14,16H,5-6,8-9,11-13H2
InChIKeyWWADQDSGKOMLGS-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.51
Rot. Bonds5

About [1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone

[1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone (PubChem CID 110116390) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
PubChem CID110116390
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name[1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
SMILESO=C(N1CCOC(CCc2ccncn2)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C20H22FN3O2/c21-18-4-2-1-3-17(18)20(8-9-20)19(25)24-11-12-26-16(13-24)6-5-15-7-10-22-14-23-15/h1-4,7,10,14,16H,5-6,8-9,11-13H2
InChIKeyWWADQDSGKOMLGS-UHFFFAOYSA-N
XLogP2.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]propan-1-one
CID 124972560
pyrimidin-2-yl-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124961131
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
2-(3-fluorophenyl)-1-[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]ethanone
CID 125024352
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986519
[(2S)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 124986520
(3-fluoro-4-methoxyphenyl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124944270
(2-methyl-3-pyridinyl)-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116322
1-benzothiophen-2-yl-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 124940586
[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110609411
(5-methylpyrazin-2-yl)-[(2R)-2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 125018190

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone (CID 110116390) is [1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone is O=C(N1CCOC(CCc2ccncn2)C1)C1(c2ccccc2F)CC1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
The InChIKey is WWADQDSGKOMLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-18-4-2-1-3-17(18)20(8-9-20)19(25)24-11-12-26-16(13-24)6-5-15-7-10-22-14-23-15/h1-4,7,10,14,16H,5-6,8-9,11-13H2.
What are the key properties of [1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone?
[1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone has a molecular weight of 355.41 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopropyl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 110116390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).