4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C19H22FN3O3 — CID 137030447

IUPAC4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=C(CCc1ccccc1F)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C19H22FN3O3/c20-17-4-2-1-3-14(17)5-8-19(25)23-9-10-26-16(12-23)7-6-15-11-18(24)22-13-21-15/h1-4,11,13,16H,5-10,12H2,(H,21,22,24)/t16-/m1/s1
InChIKeyHCMOACPYGLIQOA-MRXNPFEDSA-N
MW359.40 g/mol
LogP1.70
Rot. Bonds6

About 4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 137030447) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID137030447
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=C(CCc1ccccc1F)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C19H22FN3O3/c20-17-4-2-1-3-14(17)5-8-19(25)23-9-10-26-16(12-23)7-6-15-11-18(24)22-13-21-15/h1-4,11,13,16H,5-10,12H2,(H,21,22,24)/t16-/m1/s1
InChIKeyHCMOACPYGLIQOA-MRXNPFEDSA-N
XLogP1.70
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
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
4-[2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136793128
4-[2-[(2R)-4-(2-thiophen-2-ylacetyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137168578
4-[2-[4-(3-imidazol-1-ylpropanoyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844736
4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037840
4-[2-[(2R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137106048
4-[2-[(2R)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137131781
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
4-[2-[(2S)-4-[2-(4-methylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140122
4-[2-[(2S)-4-(4-methyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137044881
4-[2-[4-(2,3-dihydro-1H-indene-5-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844752
4-[2-[(2S)-4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140053

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 137030447) is 4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is O=C(CCc1ccccc1F)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is HCMOACPYGLIQOA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-17-4-2-1-3-14(17)5-8-19(25)23-9-10-26-16(12-23)7-6-15-11-18(24)22-13-21-15/h1-4,11,13,16H,5-10,12H2,(H,21,22,24)/t16-/m1/s1.
What are the key properties of 4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 359.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137030447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).