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

C13H8BrClN2OS — CID 103319776

IUPAC4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
SMILESCc1ccc(Oc2nc(Cl)nc3sccc23)c(Br)c1
InChIInChI=1S/C13H8BrClN2OS/c1-7-2-3-10(9(14)6-7)18-11-8-4-5-19-12(8)17-13(15)16-11/h2-6H,1H3
InChIKeyPPNCQLWXULIKLW-UHFFFAOYSA-N
MW355.64 g/mol
LogP5.21
Rot. Bonds2

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

4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine (PubChem CID 103319776) has the molecular formula C13H8BrClN2OS and a molecular weight of 355.64 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
PubChem CID103319776
Molecular FormulaC13H8BrClN2OS
Molecular Weight355.64 g/mol
Exact Mass353.92
IUPAC Name4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
SMILESCc1ccc(Oc2nc(Cl)nc3sccc23)c(Br)c1
InChIInChI=1S/C13H8BrClN2OS/c1-7-2-3-10(9(14)6-7)18-11-8-4-5-19-12(8)17-13(15)16-11/h2-6H,1H3
InChIKeyPPNCQLWXULIKLW-UHFFFAOYSA-N
XLogP5.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.64
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103320173
4-(2-bromo-4-methylphenoxy)-2-chloroquinazoline
CID 63504641
4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 107098065
2-chloro-4-(2,6-dimethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 103319866
2-chloro-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 103319903
4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332016
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762
2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320145
2-(2-chlorothieno[2,3-d]pyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 103320002
4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
CID 2399341
[4-(2-fluoro-5-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336348

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine (CID 103319776) is 4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine is Cc1ccc(Oc2nc(Cl)nc3sccc23)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine?
The InChIKey is PPNCQLWXULIKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2OS/c1-7-2-3-10(9(14)6-7)18-11-8-4-5-19-12(8)17-13(15)16-11/h2-6H,1H3.
What are the key properties of 4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine?
4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine has a molecular weight of 355.64 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).