4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one

C17H20FN3O2 — CID 136763705

IUPAC4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(F)c1
InChIInChI=1S/C17H20FN3O2/c1-11-19-16(8-17(22)20-11)13-5-6-21(10-13)9-12-3-4-14(23-2)7-15(12)18/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,19,20,22)/t13-/m1/s1
InChIKeyCWLBPYLNCWAVAS-CYBMUJFWSA-N
MW317.36 g/mol
LogP2.22
Rot. Bonds4

About 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136763705) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136763705
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(F)c1
InChIInChI=1S/C17H20FN3O2/c1-11-19-16(8-17(22)20-11)13-5-6-21(10-13)9-12-3-4-14(23-2)7-15(12)18/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,19,20,22)/t13-/m1/s1
InChIKeyCWLBPYLNCWAVAS-CYBMUJFWSA-N
XLogP2.22
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-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

4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763677
4-[1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760213
4-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763679
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110238058
4-[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760193
4-[(3R)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735285
4-[(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735331
2-methyl-4-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816521
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
2-methyl-4-[(3R)-1-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136763695
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802
4-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706417

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 136763705) is 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one is COc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(F)c1.
What is the InChIKey of 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is CWLBPYLNCWAVAS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-19-16(8-17(22)20-11)13-5-6-21(10-13)9-12-3-4-14(23-2)7-15(12)18/h3-4,7-8,13H,5-6,9-10H2,1-2H3,(H,19,20,22)/t13-/m1/s1.
What are the key properties of 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 317.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136763705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).