5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one

C13H10BrClN2O2S — CID 104653877

IUPAC5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCC(Cl)c1nc2scc(-c3ccc(Br)o3)c2c(=O)[nH]1
InChIInChI=1S/C13H10BrClN2O2S/c1-2-7(15)11-16-12(18)10-6(5-20-13(10)17-11)8-3-4-9(14)19-8/h3-5,7H,2H2,1H3,(H,16,17,18)
InChIKeyRSTIPOLFCMWMHM-UHFFFAOYSA-N
MW373.66 g/mol
LogP4.70
Rot. Bonds3

About 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one

5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 104653877) has the molecular formula C13H10BrClN2O2S and a molecular weight of 373.66 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID104653877
Molecular FormulaC13H10BrClN2O2S
Molecular Weight373.66 g/mol
Exact Mass371.93
IUPAC Name5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCC(Cl)c1nc2scc(-c3ccc(Br)o3)c2c(=O)[nH]1
InChIInChI=1S/C13H10BrClN2O2S/c1-2-7(15)11-16-12(18)10-6(5-20-13(10)17-11)8-3-4-9(14)19-8/h3-5,7H,2H2,1H3,(H,16,17,18)
InChIKeyRSTIPOLFCMWMHM-UHFFFAOYSA-N
XLogP4.70
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.66
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-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

Related Compounds

5-(5-bromofuran-2-yl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 104653876
2-(1-chloropropyl)-5-(5-fluoro-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 83110502
5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43150223
2-(1-chloroethyl)-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 43150203
2-(dichloromethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 852970
2-(1-chloroethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084617
2-(1-chloropropyl)-5-(furan-2-yl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 62632524
2-(1-chloroethyl)-5-(2,5-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084627
2-(1-chloroethyl)-5-(2,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084626
2-amino-5-(5-bromofuran-2-yl)-1H-pyrimidin-6-one
CID 117260610
2-benzhydryl-5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868698
2-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 8602484

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 104653877) is 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one is CCC(Cl)c1nc2scc(-c3ccc(Br)o3)c2c(=O)[nH]1.
What is the InChIKey of 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RSTIPOLFCMWMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O2S/c1-2-7(15)11-16-12(18)10-6(5-20-13(10)17-11)8-3-4-9(14)19-8/h3-5,7H,2H2,1H3,(H,16,17,18).
What are the key properties of 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 373.66 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 104653877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).