2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

C19H20FN3O3 — CID 136844328

IUPAC2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)n1
InChIInChI=1S/C19H20FN3O3/c1-12-10-16(24)22-17(21-12)15-11-23(8-9-26-15)18(25)19(6-7-19)13-4-2-3-5-14(13)20/h2-5,10,15H,6-9,11H2,1H3,(H,21,22,24)
InChIKeyRRWFSWTUAPCLJF-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.85
Rot. Bonds3

About 2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136844328) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136844328
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)n1
InChIInChI=1S/C19H20FN3O3/c1-12-10-16(24)22-17(21-12)15-11-23(8-9-26-15)18(25)19(6-7-19)13-4-2-3-5-14(13)20/h2-5,10,15H,6-9,11H2,1H3,(H,21,22,24)
InChIKeyRRWFSWTUAPCLJF-UHFFFAOYSA-N
XLogP1.85
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030382
2-[(2S)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169800
2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145675
[1-(2-fluorophenyl)cyclopropyl]-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110609411
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
[2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110609508
4-methyl-2-[(2R)-4-(thiophene-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044860
4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168597
4-methyl-2-[4-(2-methyl-3H-benzimidazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844301
4-methyl-2-[(2S)-4-(quinoline-6-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137037891
4-methyl-2-[4-(1-propylpyrazole-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844343
N-[2-[(2R)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 137131786

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 136844328) is 2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)n1.
What is the InChIKey of 2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is RRWFSWTUAPCLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-12-10-16(24)22-17(21-12)15-11-23(8-9-26-15)18(25)19(6-7-19)13-4-2-3-5-14(13)20/h2-5,10,15H,6-9,11H2,1H3,(H,21,22,24).
What are the key properties of 2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 357.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136844328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).