4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one

C19H21FN4O — CID 91775988

IUPAC4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(Cc2ncc(F)c(N3CCCC3)n2)CN1c1ccccc1
InChIInChI=1S/C19H21FN4O/c20-16-12-21-17(22-19(16)23-8-4-5-9-23)10-14-11-18(25)24(13-14)15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11,13H2
InChIKeyARGYFRZYDJDGLK-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.81
Rot. Bonds4

About 4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one

4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one (PubChem CID 91775988) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one
PubChem CID91775988
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one
SMILESO=C1CC(Cc2ncc(F)c(N3CCCC3)n2)CN1c1ccccc1
InChIInChI=1S/C19H21FN4O/c20-16-12-21-17(22-19(16)23-8-4-5-9-23)10-14-11-18(25)24(13-14)15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11,13H2
InChIKeyARGYFRZYDJDGLK-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-phenylpyrrolidin-2-one
CID 91759927
1-phenyl-4-[[5-(piperidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 91790354
4-(bromomethyl)-1-phenylpyrrolidin-2-one
CID 23591967
1-phenyl-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672207
(4S)-4-[(5-acetyl-2-pyridinyl)methyl]-1-phenylpyrrolidin-2-one
CID 124851229
4-(chloromethyl)-1-(3-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 168509498
(4S)-4-[[5-methyl-6-(1,2,4-triazol-4-yl)-3-pyridinyl]methyl]-1-phenylpyrrolidin-2-one
CID 124754080
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
4-(bromomethyl)-1-(3-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168505869
2-[4-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 125171216
(4S)-1-phenyl-4-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyrrolidin-2-one
CID 125156467

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one (CID 91775988) is 4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one is O=C1CC(Cc2ncc(F)c(N3CCCC3)n2)CN1c1ccccc1.
What is the InChIKey of 4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one?
The InChIKey is ARGYFRZYDJDGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-16-12-21-17(22-19(16)23-8-4-5-9-23)10-14-11-18(25)24(13-14)15-6-2-1-3-7-15/h1-3,6-7,12,14H,4-5,8-11,13H2.
What are the key properties of 4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one?
4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one has a molecular weight of 340.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 91775988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).