4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

C20H25FN4O2 — CID 136735411

IUPAC4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(F)c(CN2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)c1
InChIInChI=1S/C20H25FN4O2/c1-27-16-4-5-17(21)15(10-16)13-24-9-6-14(12-24)18-11-19(26)23-20(22-18)25-7-2-3-8-25/h4-5,10-11,14H,2-3,6-9,12-13H2,1H3,(H,22,23,26)/t14-/m1/s1
InChIKeyNMXNABPPVUEAAU-CQSZACIVSA-N
MW372.44 g/mol
LogP2.51
Rot. Bonds5

About 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one

4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 136735411) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID136735411
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(F)c(CN2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)c1
InChIInChI=1S/C20H25FN4O2/c1-27-16-4-5-17(21)15(10-16)13-24-9-6-14(12-24)18-11-19(26)23-20(22-18)25-7-2-3-8-25/h4-5,10-11,14H,2-3,6-9,12-13H2,1H3,(H,22,23,26)/t14-/m1/s1
InChIKeyNMXNABPPVUEAAU-CQSZACIVSA-N
XLogP2.51
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-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 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 136735411) is 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is COc1ccc(F)c(CN2CC[C@@H](c3cc(=O)[nH]c(N4CCCC4)n3)C2)c1.
What is the InChIKey of 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is NMXNABPPVUEAAU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-27-16-4-5-17(21)15(10-16)13-24-9-6-14(12-24)18-11-19(26)23-20(22-18)25-7-2-3-8-25/h4-5,10-11,14H,2-3,6-9,12-13H2,1H3,(H,22,23,26)/t14-/m1/s1.
What are the key properties of 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 372.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136735411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).