5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine

C13H8BrClN2OS — CID 57428877

IUPAC5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine
SMILESCOc1ccc2sc(-c3nc(Cl)ncc3Br)cc2c1
InChIInChI=1S/C13H8BrClN2OS/c1-18-8-2-3-10-7(4-8)5-11(19-10)12-9(14)6-16-13(15)17-12/h2-6H,1H3
InChIKeyYKNSFVPIESBSGS-UHFFFAOYSA-N
MW355.64 g/mol
LogP4.78
Rot. Bonds2

About 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine

5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine (PubChem CID 57428877) has the molecular formula C13H8BrClN2OS and a molecular weight of 355.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine
PubChem CID57428877
Molecular FormulaC13H8BrClN2OS
Molecular Weight355.64 g/mol
Exact Mass353.92
IUPAC Name5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine
SMILESCOc1ccc2sc(-c3nc(Cl)ncc3Br)cc2c1
InChIInChI=1S/C13H8BrClN2OS/c1-18-8-2-3-10-7(4-8)5-11(19-10)12-9(14)6-16-13(15)17-12/h2-6H,1H3
InChIKeyYKNSFVPIESBSGS-UHFFFAOYSA-N
XLogP4.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.64
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)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

2-(5-bromo-2-chloropyrimidin-4-yl)thieno[3,2-c]pyridine
CID 57428873
N-[bis(4-methoxyphenyl)methyl]-2-(5-bromo-2-chloropyrimidin-4-yl)-1-benzothiophene-4-carboxamide
CID 86625358
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
2,5-dimethoxy-1-benzothiophene
CID 69101358
5-(5-methoxy-1-benzothiophen-2-yl)-1H-pyrazol-3-amine
CID 115109988
4-(6-bromo-1-benzothiophen-2-yl)-2,5-dichloropyrimidine
CID 86625387
5-bromo-2-chloro-4-(6-methoxy-3-pyridinyl)pyrimidine
CID 134854260
2-chloro-7-methoxyquinazoline
CID 55251455
(1-carbamoylcycloprop-2-en-1-yl) 2-(5-bromo-2-chloropyrimidin-4-yl)-1-benzothiophene-4-carboxylate
CID 91367614
5-methoxy-2-[(5-methoxy-1-benzothiophen-2-yl)sulfinyl]-1-benzothiophene
CID 170556365
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751
2,5-dichloro-4-(6-methylsulfanyl-1-benzothiophen-2-yl)pyrimidine
CID 86625356

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine (CID 57428877) is 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine is COc1ccc2sc(-c3nc(Cl)ncc3Br)cc2c1.
What is the InChIKey of 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine?
The InChIKey is YKNSFVPIESBSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2OS/c1-18-8-2-3-10-7(4-8)5-11(19-10)12-9(14)6-16-13(15)17-12/h2-6H,1H3.
What are the key properties of 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine?
5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine has a molecular weight of 355.64 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(5-methoxy-1-benzothiophen-2-yl)pyrimidine is sourced from PubChem (CID 57428877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).