2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine

C13H7Br2ClN2O2S — CID 103320173

IUPAC2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCOc1cc(Br)c(Oc2nc(Cl)nc3sccc23)cc1Br
InChIInChI=1S/C13H7Br2ClN2O2S/c1-19-9-4-8(15)10(5-7(9)14)20-11-6-2-3-21-12(6)18-13(16)17-11/h2-5H,1H3
InChIKeyJPKWYSBUVCIVLU-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.67
Rot. Bonds3

About 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine

2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 103320173) has the molecular formula C13H7Br2ClN2O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
PubChem CID103320173
Molecular FormulaC13H7Br2ClN2O2S
Molecular Weight450.54 g/mol
Exact Mass447.83
IUPAC Name2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCOc1cc(Br)c(Oc2nc(Cl)nc3sccc23)cc1Br
InChIInChI=1S/C13H7Br2ClN2O2S/c1-19-9-4-8(15)10(5-7(9)14)20-11-6-2-3-21-12(6)18-13(16)17-11/h2-5H,1H3
InChIKeyJPKWYSBUVCIVLU-UHFFFAOYSA-N
XLogP5.67
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 103319776
2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103319866
4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 107098065
2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 103319903
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 103320002
2-chloro-4-(2,2-difluoroethoxy)thieno[2,3-d]pyrimidine
CID 103320209
2-chloro-4-(2-ethoxyethoxy)thieno[2,3-d]pyrimidine
CID 103319718
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 103322284
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 103331744
1,4-dibromo-2-chloro-5-methoxybenzene
CID 50997851
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine (CID 103320173) is 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine is COc1cc(Br)c(Oc2nc(Cl)nc3sccc23)cc1Br.
What is the InChIKey of 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is JPKWYSBUVCIVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2O2S/c1-19-9-4-8(15)10(5-7(9)14)20-11-6-2-3-21-12(6)18-13(16)17-11/h2-5H,1H3.
What are the key properties of 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine?
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 450.54 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).