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

C13H7Cl2FN2OS — CID 103320114

IUPAC2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Oc3ccc(F)c(Cl)c3)nc(Cl)nc2s1
InChIInChI=1S/C13H7Cl2FN2OS/c1-6-4-8-11(17-13(15)18-12(8)20-6)19-7-2-3-10(16)9(14)5-7/h2-5H,1H3
InChIKeyWDWLJZWTQUGIFX-UHFFFAOYSA-N
MW329.18 g/mol
LogP5.24
Rot. Bonds2

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

2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 103320114) has the molecular formula C13H7Cl2FN2OS and a molecular weight of 329.18 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
PubChem CID103320114
Molecular FormulaC13H7Cl2FN2OS
Molecular Weight329.18 g/mol
Exact Mass327.96
IUPAC Name2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Oc3ccc(F)c(Cl)c3)nc(Cl)nc2s1
InChIInChI=1S/C13H7Cl2FN2OS/c1-6-4-8-11(17-13(15)18-12(8)20-6)19-7-2-3-10(16)9(14)5-7/h2-5H,1H3
InChIKeyWDWLJZWTQUGIFX-UHFFFAOYSA-N
XLogP5.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.18
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 107169181
2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320145
2-chloro-4-(2,4-difluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103319870
4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333166
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762
2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
CID 103320160
6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332557
4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333496
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine
CID 103320244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine (CID 103320114) is 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Oc3ccc(F)c(Cl)c3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is WDWLJZWTQUGIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2OS/c1-6-4-8-11(17-13(15)18-12(8)20-6)19-7-2-3-10(16)9(14)5-7/h2-5H,1H3.
What are the key properties of 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine?
2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 329.18 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).