(5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone

C17H18FN3O3 — CID 124963745

IUPAC(5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCO[C@H](c2nccc(C)n2)C1
InChIInChI=1S/C17H18FN3O3/c1-11-5-6-19-16(20-11)15-10-21(7-8-24-15)17(22)13-9-12(18)3-4-14(13)23-2/h3-6,9,15H,7-8,10H2,1-2H3/t15-/m0/s1
InChIKeyHSMXWBIMSSYZSX-HNNXBMFYSA-N
MW331.35 g/mol
LogP2.15
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone

(5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone (PubChem CID 124963745) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
PubChem CID124963745
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name(5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCO[C@H](c2nccc(C)n2)C1
InChIInChI=1S/C17H18FN3O3/c1-11-5-6-19-16(20-11)15-10-21(7-8-24-15)17(22)13-9-12(18)3-4-14(13)23-2/h3-6,9,15H,7-8,10H2,1-2H3/t15-/m0/s1
InChIKeyHSMXWBIMSSYZSX-HNNXBMFYSA-N
XLogP2.15
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-fluoro-2-methoxyphenyl)-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124941841
4-[4-(5-fluoro-2-methoxybenzoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844530
2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115486
[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124978768
[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-quinolin-3-ylmethanone
CID 124959536
(2-methoxy-5-methylphenyl)-[2-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 166280653
[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110118939
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110115566
(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249
(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124972419
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone (CID 124963745) is (5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone is COc1ccc(F)cc1C(=O)N1CCO[C@H](c2nccc(C)n2)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone?
The InChIKey is HSMXWBIMSSYZSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-5-6-19-16(20-11)15-10-21(7-8-24-15)17(22)13-9-12(18)3-4-14(13)23-2/h3-6,9,15H,7-8,10H2,1-2H3/t15-/m0/s1.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone has a molecular weight of 331.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124963745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).