6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine

C12H5BrClFN2S — CID 114560090

IUPAC6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine
SMILESFc1cccc(Br)c1-c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C12H5BrClFN2S/c13-6-2-1-3-7(15)10(6)9-4-8-11(18-9)12(14)17-5-16-8/h1-5H
InChIKeyMHLBMMIDLVRUBI-UHFFFAOYSA-N
MW343.61 g/mol
LogP4.91
Rot. Bonds1

About 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine

6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine (PubChem CID 114560090) has the molecular formula C12H5BrClFN2S and a molecular weight of 343.61 g/mol. Its IUPAC name is 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine
PubChem CID114560090
Molecular FormulaC12H5BrClFN2S
Molecular Weight343.61 g/mol
Exact Mass341.90
IUPAC Name6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine
SMILESFc1cccc(Br)c1-c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C12H5BrClFN2S/c13-6-2-1-3-7(15)10(6)9-4-8-11(18-9)12(14)17-5-16-8/h1-5H
InChIKeyMHLBMMIDLVRUBI-UHFFFAOYSA-N
XLogP4.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine 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

4-chloro-6-phenylthieno[3,2-d]pyrimidine
CID 2757862
4-chloro-6-(3,4-difluorophenyl)thieno[3,2-d]pyrimidine
CID 43332794
6-(5-bromo-2-methylphenyl)-4-chlorothieno[3,2-d]pyrimidine
CID 65306995
4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine
CID 43332783
4-chloro-6-(2-methyl-6-nitrophenyl)thieno[3,2-d]pyrimidine
CID 43332810
4-chloro-6-(5-chloro-2-methylphenyl)thieno[3,2-d]pyrimidine
CID 82883998
6-(2-bromofuran-3-yl)-4-chlorothieno[3,2-d]pyrimidine
CID 106854896
6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride
CID 122360142
4-chloro-6-(3-chloro-5-methylphenyl)thieno[3,2-d]pyrimidine
CID 81324041
4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine
CID 43332773
4-chloro-6-(2,5-dimethylfuran-3-yl)thieno[3,2-d]pyrimidine
CID 43155613
4-chloro-6-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-d]pyrimidine
CID 86718090

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine?
The IUPAC name of 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine (CID 114560090) is 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine?
The canonical SMILES for 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine is Fc1cccc(Br)c1-c1cc2ncnc(Cl)c2s1.
What is the InChIKey of 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine?
The InChIKey is MHLBMMIDLVRUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClFN2S/c13-6-2-1-3-7(15)10(6)9-4-8-11(18-9)12(14)17-5-16-8/h1-5H.
What are the key properties of 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine?
6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine has a molecular weight of 343.61 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-6-fluorophenyl)-4-chlorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 114560090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).