5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one

C19H20FN3OS2 — CID 154858424

IUPAC5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCN1CCCC1CCSc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1
InChIInChI=1S/C19H20FN3OS2/c1-23-9-2-3-14(23)8-10-25-19-21-17(24)16-15(11-26-18(16)22-19)12-4-6-13(20)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3,(H,21,22,24)
InChIKeyURZYLYICHDRJJK-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.37
Rot. Bonds5

About 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 154858424) has the molecular formula C19H20FN3OS2 and a molecular weight of 389.52 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID154858424
Molecular FormulaC19H20FN3OS2
Molecular Weight389.52 g/mol
Exact Mass389.10
IUPAC Name5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCN1CCCC1CCSc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1
InChIInChI=1S/C19H20FN3OS2/c1-23-9-2-3-14(23)8-10-25-19-21-17(24)16-15(11-26-18(16)22-19)12-4-6-13(20)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3,(H,21,22,24)
InChIKeyURZYLYICHDRJJK-UHFFFAOYSA-N
XLogP4.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]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 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 154858424) is 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one is CN1CCCC1CCSc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1.
What is the InChIKey of 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is URZYLYICHDRJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS2/c1-23-9-2-3-14(23)8-10-25-19-21-17(24)16-15(11-26-18(16)22-19)12-4-6-13(20)7-5-12/h4-7,11,14H,2-3,8-10H2,1H3,(H,21,22,24).
What are the key properties of 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 389.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 154858424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).