5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

C18H20FN3O2 — CID 136757570

IUPAC5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CC[C@H](c3ccccc3F)C2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O2/c1-11-15(18(24)21-12(2)20-11)9-17(23)22-8-7-13(10-22)14-5-3-4-6-16(14)19/h3-6,13H,7-10H2,1-2H3,(H,20,21,24)/t13-/m0/s1
InChIKeyVFNHERFKRCWDQJ-ZDUSSCGKSA-N
MW329.38 g/mol
LogP2.08
Rot. Bonds3

About 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 136757570) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID136757570
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CC[C@H](c3ccccc3F)C2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O2/c1-11-15(18(24)21-12(2)20-11)9-17(23)22-8-7-13(10-22)14-5-3-4-6-16(14)19/h3-6,13H,7-10H2,1-2H3,(H,20,21,24)/t13-/m0/s1
InChIKeyVFNHERFKRCWDQJ-ZDUSSCGKSA-N
XLogP2.08
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 136757570) is 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CC[C@H](c3ccccc3F)C2)c(=O)[nH]1.
What is the InChIKey of 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is VFNHERFKRCWDQJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-11-15(18(24)21-12(2)20-11)9-17(23)22-8-7-13(10-22)14-5-3-4-6-16(14)19/h3-6,13H,7-10H2,1-2H3,(H,20,21,24)/t13-/m0/s1.
What are the key properties of 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 329.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136757570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).