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

C12H5BrClFN2S — CID 112750347

IUPAC4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine
SMILESFc1c(Br)cccc1-c1nc(Cl)nc2ccsc12
InChIInChI=1S/C12H5BrClFN2S/c13-7-3-1-2-6(9(7)15)10-11-8(4-5-18-11)16-12(14)17-10/h1-5H
InChIKeyKCTBHGZGUOZFCF-UHFFFAOYSA-N
MW343.61 g/mol
LogP4.91
Rot. Bonds1

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

4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine (PubChem CID 112750347) has the molecular formula C12H5BrClFN2S and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine
PubChem CID112750347
Molecular FormulaC12H5BrClFN2S
Molecular Weight343.61 g/mol
Exact Mass341.90
IUPAC Name4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine
SMILESFc1c(Br)cccc1-c1nc(Cl)nc2ccsc12
InChIInChI=1S/C12H5BrClFN2S/c13-7-3-1-2-6(9(7)15)10-11-8(4-5-18-11)16-12(14)17-10/h1-5H
InChIKeyKCTBHGZGUOZFCF-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

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Related Compounds

4-(5-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-chlorothieno[3,2-d]pyrimidine
CID 138719097
2-(3-bromo-2-fluorophenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 106646719
(2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674463
2-(3-bromothiophen-2-yl)-4,6-dichloro-5-(2-fluorophenyl)pyrimidine
CID 115380847
4-(2-bromophenyl)-2-chloro-[1]benzothiolo[3,2-d]pyrimidine
CID 122490049
3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106650668
5-bromo-4-chloro-2-fluoroquinazoline
CID 90968400
5-(3-bromo-2-fluorophenyl)-4-chloro-1H-pyrazole
CID 131848610
2,4-difluorothieno[3,2-d]pyrimidine
CID 141193724
4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole
CID 79832738
4-(3-bromo-2-fluorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136980800
6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 106646829

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine?
The IUPAC name of 4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine (CID 112750347) is 4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine is Fc1c(Br)cccc1-c1nc(Cl)nc2ccsc12.
What is the InChIKey of 4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine?
The InChIKey is KCTBHGZGUOZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClFN2S/c13-7-3-1-2-6(9(7)15)10-11-8(4-5-18-11)16-12(14)17-10/h1-5H.
What are the key properties of 4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine?
4-(3-bromo-2-fluorophenyl)-2-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 4-(3-bromo-2-fluorophenyl)-2-chlorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 112750347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).