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

C19H20FN3O3 — CID 137030382

IUPAC4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C19H20FN3O3/c1-12-21-15(10-17(24)22-12)16-11-23(8-9-26-16)18(25)19(6-7-19)13-4-2-3-5-14(13)20/h2-5,10,16H,6-9,11H2,1H3,(H,21,22,24)/t16-/m0/s1
InChIKeyGDIRCOGMODJINZ-INIZCTEOSA-N
MW357.39 g/mol
LogP1.85
Rot. Bonds3

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

4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137030382) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137030382
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc([C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)cc(=O)[nH]1
InChIInChI=1S/C19H20FN3O3/c1-12-21-15(10-17(24)22-12)16-11-23(8-9-26-16)18(25)19(6-7-19)13-4-2-3-5-14(13)20/h2-5,10,16H,6-9,11H2,1H3,(H,21,22,24)/t16-/m0/s1
InChIKeyGDIRCOGMODJINZ-INIZCTEOSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844328
4-[(2S)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137030403
[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-[(2S)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137106030
4-[(2S)-2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]-4-oxobutanoic acid
CID 137145712
4-[2-(2-methyl-6-oxo-1H-pyrimidin-4-yl)morpholin-4-yl]-4-oxobutanoic acid
CID 136844422
2-methyl-4-[(2R)-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140116
4-[4-(5-fluoro-2-methoxybenzoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844530
2-methyl-4-[(2R)-4-(2-methylpyrimidine-4-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137131748
4-[(2S)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137044866

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one (CID 137030382) is 4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc([C@@H]2CN(C(=O)C3(c4ccccc4F)CC3)CCO2)cc(=O)[nH]1.
What is the InChIKey of 4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GDIRCOGMODJINZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-12-21-15(10-17(24)22-12)16-11-23(8-9-26-16)18(25)19(6-7-19)13-4-2-3-5-14(13)20/h2-5,10,16H,6-9,11H2,1H3,(H,21,22,24)/t16-/m0/s1.
What are the key properties of 4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-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 4-[(2S)-4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137030382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).