4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one

C11H16FN3O3 — CID 146140425

IUPAC4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CCC(F)(CO)C2)cc(=O)[nH]1
InChIInChI=1S/C11H16FN3O3/c1-18-5-8-13-9(4-10(17)14-8)15-3-2-11(12,6-15)7-16/h4,16H,2-3,5-7H2,1H3,(H,13,14,17)
InChIKeySPCPPQPEJNNNDJ-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.17
Rot. Bonds4

About 4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one

4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 146140425) has the molecular formula C11H16FN3O3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID146140425
Molecular FormulaC11H16FN3O3
Molecular Weight257.26 g/mol
Exact Mass257.12
IUPAC Name4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CCC(F)(CO)C2)cc(=O)[nH]1
InChIInChI=1S/C11H16FN3O3/c1-18-5-8-13-9(4-10(17)14-8)15-3-2-11(12,6-15)7-16/h4,16H,2-3,5-7H2,1H3,(H,13,14,17)
InChIKeySPCPPQPEJNNNDJ-UHFFFAOYSA-N
XLogP-0.17
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-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-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 146140425) is 4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(N2CCC(F)(CO)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is SPCPPQPEJNNNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O3/c1-18-5-8-13-9(4-10(17)14-8)15-3-2-11(12,6-15)7-16/h4,16H,2-3,5-7H2,1H3,(H,13,14,17).
What are the key properties of 4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 257.26 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 146140425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).