1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one

C9H12FN3O — CID 141339298

IUPAC1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one
SMILESO=c1ccn(CN2CC[C@H](F)C2)cn1
InChIInChI=1S/C9H12FN3O/c10-8-1-3-12(5-8)7-13-4-2-9(14)11-6-13/h2,4,6,8H,1,3,5,7H2/t8-/m0/s1
InChIKeyWGLXCSXGMMPCIH-QMMMGPOBSA-N
MW197.21 g/mol
LogP0.24
Rot. Bonds2

About 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one

1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one (PubChem CID 141339298) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one
PubChem CID141339298
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one
SMILESO=c1ccn(CN2CC[C@H](F)C2)cn1
InChIInChI=1S/C9H12FN3O/c10-8-1-3-12(5-8)7-13-4-2-9(14)11-6-13/h2,4,6,8H,1,3,5,7H2/t8-/m0/s1
InChIKeyWGLXCSXGMMPCIH-QMMMGPOBSA-N
XLogP0.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-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 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one?
The IUPAC name of 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one (CID 141339298) is 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one is O=c1ccn(CN2CC[C@H](F)C2)cn1.
What is the InChIKey of 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one?
The InChIKey is WGLXCSXGMMPCIH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-8-1-3-12(5-8)7-13-4-2-9(14)11-6-13/h2,4,6,8H,1,3,5,7H2/t8-/m0/s1.
What are the key properties of 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one?
1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one has a molecular weight of 197.21 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 141339298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).