5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one

C14H10BrClN2OS — CID 43150223

IUPAC5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(Cl)c1nc2scc(-c3ccccc3Br)c2c(=O)[nH]1
InChIInChI=1S/C14H10BrClN2OS/c1-7(16)12-17-13(19)11-9(6-20-14(11)18-12)8-4-2-3-5-10(8)15/h2-7H,1H3,(H,17,18,19)
InChIKeyOXRCJTJAMDGDFI-UHFFFAOYSA-N
MW369.67 g/mol
LogP4.71
Rot. Bonds2

About 5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one

5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 43150223) has the molecular formula C14H10BrClN2OS and a molecular weight of 369.67 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID43150223
Molecular FormulaC14H10BrClN2OS
Molecular Weight369.67 g/mol
Exact Mass367.94
IUPAC Name5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(Cl)c1nc2scc(-c3ccccc3Br)c2c(=O)[nH]1
InChIInChI=1S/C14H10BrClN2OS/c1-7(16)12-17-13(19)11-9(6-20-14(11)18-12)8-4-2-3-5-10(8)15/h2-7H,1H3,(H,17,18,19)
InChIKeyOXRCJTJAMDGDFI-UHFFFAOYSA-N
XLogP4.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-chloroethyl)-5-(2-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084617
5-(2-bromophenyl)-2-(chloromethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 29078980
5-(5-bromofuran-2-yl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 104653876
2-(1-chloroethyl)-5-(2,4-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084626
2-(1-chloroethyl)-5-(2,5-dimethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43084627
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
5-(2-chlorophenyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47007159
5-(5-bromofuran-2-yl)-2-(1-chloropropyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 104653877
2-(1-chloroethyl)-6-(2-fluorophenyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 114832502
2-[(1S)-1-[2-(4-bromophenoxy)ethylsulfanyl]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2118683
2-benzhydryl-5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868698

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 43150223) is 5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one is CC(Cl)c1nc2scc(-c3ccccc3Br)c2c(=O)[nH]1.
What is the InChIKey of 5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is OXRCJTJAMDGDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2OS/c1-7(16)12-17-13(19)11-9(6-20-14(11)18-12)8-4-2-3-5-10(8)15/h2-7H,1H3,(H,17,18,19).
What are the key properties of 5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 369.67 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-(1-chloroethyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 43150223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).