4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine

C13H9ClFN3OS — CID 103333496

IUPAC4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Oc3cccc(Cl)c3F)nc(N)nc2s1
InChIInChI=1S/C13H9ClFN3OS/c1-6-5-7-11(17-13(16)18-12(7)20-6)19-9-4-2-3-8(14)10(9)15/h2-5H,1H3,(H2,16,17,18)
InChIKeyGLSBVSJSWQXBHA-UHFFFAOYSA-N
MW309.75 g/mol
LogP4.17
Rot. Bonds2

About 4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine

4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333496) has the molecular formula C13H9ClFN3OS and a molecular weight of 309.75 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103333496
Molecular FormulaC13H9ClFN3OS
Molecular Weight309.75 g/mol
Exact Mass309.01
IUPAC Name4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Oc3cccc(Cl)c3F)nc(N)nc2s1
InChIInChI=1S/C13H9ClFN3OS/c1-6-5-7-11(17-13(16)18-12(7)20-6)19-9-4-2-3-8(14)10(9)15/h2-5H,1H3,(H2,16,17,18)
InChIKeyGLSBVSJSWQXBHA-UHFFFAOYSA-N
XLogP4.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-2-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103333492
4-(2,3-dimethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331767
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
4-(5-bromo-2-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332585
4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331934
4-(2-ethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332009
4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333166
6-methyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331947
4-(4-bromo-2-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332537
6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332557
4-[(3-chlorophenyl)methoxy]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332823
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331676

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103333496) is 4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(Oc3cccc(Cl)c3F)nc(N)nc2s1.
What is the InChIKey of 4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is GLSBVSJSWQXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3OS/c1-6-5-7-11(17-13(16)18-12(7)20-6)19-9-4-2-3-8(14)10(9)15/h2-5H,1H3,(H2,16,17,18).
What are the key properties of 4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 309.75 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).