4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine

C13H8BrClN2OS — CID 103319762

IUPAC4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Oc3ccccc3Br)nc(Cl)nc2s1
InChIInChI=1S/C13H8BrClN2OS/c1-7-6-8-11(16-13(15)17-12(8)19-7)18-10-5-3-2-4-9(10)14/h2-6H,1H3
InChIKeyKYAJJMJTFQKUBJ-UHFFFAOYSA-N
MW355.64 g/mol
LogP5.21
Rot. Bonds2

About 4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine

4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine (PubChem CID 103319762) has the molecular formula C13H8BrClN2OS and a molecular weight of 355.64 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
PubChem CID103319762
Molecular FormulaC13H8BrClN2OS
Molecular Weight355.64 g/mol
Exact Mass353.92
IUPAC Name4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Oc3ccccc3Br)nc(Cl)nc2s1
InChIInChI=1S/C13H8BrClN2OS/c1-7-6-8-11(16-13(15)17-12(8)19-7)18-10-5-3-2-4-9(10)14/h2-6H,1H3
InChIKeyKYAJJMJTFQKUBJ-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-(2,4-difluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103319870
2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320145
4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331934
4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine
CID 62477097
2-chloro-6-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319922
2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 107169181
2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320114
2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
CID 103320160
4-(5-bromo-2-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332585
4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333496
4-(2-bromo-4-methylphenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 103319776
4-(2-ethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332009

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine (CID 103319762) is 4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Oc3ccccc3Br)nc(Cl)nc2s1.
What is the InChIKey of 4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is KYAJJMJTFQKUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2OS/c1-7-6-8-11(16-13(15)17-12(8)19-7)18-10-5-3-2-4-9(10)14/h2-6H,1H3.
What are the key properties of 4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine?
4-(2-bromophenoxy)-2-chloro-6-methylthieno[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-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103319762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).