1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one

C10H12FN3O2S — CID 168670215

IUPAC1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCOc1ncc(F)c(N2CC(CS)CC2=O)n1
InChIInChI=1S/C10H12FN3O2S/c1-16-10-12-3-7(11)9(13-10)14-4-6(5-17)2-8(14)15/h3,6,17H,2,4-5H2,1H3
InChIKeyYHXPVCGNKSUOTG-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.91
Rot. Bonds3

About 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one

1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one (PubChem CID 168670215) has the molecular formula C10H12FN3O2S and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
PubChem CID168670215
Molecular FormulaC10H12FN3O2S
Molecular Weight257.29 g/mol
Exact Mass257.06
IUPAC Name1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
SMILESCOc1ncc(F)c(N2CC(CS)CC2=O)n1
InChIInChI=1S/C10H12FN3O2S/c1-16-10-12-3-7(11)9(13-10)14-4-6(5-17)2-8(14)15/h3,6,17H,2,4-5H2,1H3
InChIKeyYHXPVCGNKSUOTG-UHFFFAOYSA-N
XLogP0.91
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-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

1-(2-Chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 90459109
1-(2-Chloro-5-fluoro-4-pyrimidinyl)-3,3-dimethyl-2-pyrrolidinone
CID 117840806
5-(5-Fluoropyrimidin-4-yl)-5-azaspiro[2.4]heptan-4-one
CID 176121523
4-({[4-(Dimethylamino)-5-fluoropyrimidin-2-yl]amino}methyl)-1-methylpyrrolidin-2-one
CID 132412109
3-Fluoro-1-(5-fluoropyrimidin-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 137916808
4-[1-(5-Fluoropyrimidin-2-yl)pyrrolidine-3-carbonyl]thiomorpholine
CID 165434680
1-(5-Fluoro-2-methoxypyrimidin-4-yl)pyrrolidine-2,4-dione
CID 168493406
4-Bromo-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
CID 168496428
4-Ethynyl-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
CID 168500896
1-(2-Chloro-5-fluoropyrimidin-4-yl)-4-ethynylpyrrolidin-2-one
CID 168502496
4-(Bromomethyl)-1-(5-fluoro-2-methoxypyrimidin-4-yl)pyrrolidin-2-one
CID 168504217
4-(Bromomethyl)-1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168505816

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one (CID 168670215) is 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one is COc1ncc(F)c(N2CC(CS)CC2=O)n1.
What is the InChIKey of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
The InChIKey is YHXPVCGNKSUOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2S/c1-16-10-12-3-7(11)9(13-10)14-4-6(5-17)2-8(14)15/h3,6,17H,2,4-5H2,1H3.
What are the key properties of 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one?
1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one has a molecular weight of 257.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168670215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).