4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine

C13H9BrClN3OS — CID 103331934

IUPAC4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Oc3ccc(Cl)cc3Br)nc(N)nc2s1
InChIInChI=1S/C13H9BrClN3OS/c1-6-4-8-11(17-13(16)18-12(8)20-6)19-10-3-2-7(15)5-9(10)14/h2-5H,1H3,(H2,16,17,18)
InChIKeyXUAIEEHEVCNOJM-UHFFFAOYSA-N
MW370.66 g/mol
LogP4.79
Rot. Bonds2

About 4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine

4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331934) has the molecular formula C13H9BrClN3OS and a molecular weight of 370.66 g/mol. Its IUPAC name is 4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331934
Molecular FormulaC13H9BrClN3OS
Molecular Weight370.66 g/mol
Exact Mass368.93
IUPAC Name4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Oc3ccc(Cl)cc3Br)nc(N)nc2s1
InChIInChI=1S/C13H9BrClN3OS/c1-6-4-8-11(17-13(16)18-12(8)20-6)19-10-3-2-7(15)5-9(10)14/h2-5H,1H3,(H2,16,17,18)
InChIKeyXUAIEEHEVCNOJM-UHFFFAOYSA-N
XLogP4.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.66
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-bromo-2-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332585
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
4-(4-bromo-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332537
4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333496
4-(2,3-dimethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331767
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127
4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333166
[4-(4-chloro-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336203
4-(2-ethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332009
6-methyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331947
6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332557

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103331934) is 4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(Oc3ccc(Cl)cc3Br)nc(N)nc2s1.
What is the InChIKey of 4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is XUAIEEHEVCNOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3OS/c1-6-4-8-11(17-13(16)18-12(8)20-6)19-10-3-2-7(15)5-9(10)14/h2-5H,1H3,(H2,16,17,18).
What are the key properties of 4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 370.66 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).