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

C14H10ClFN2OS — CID 107169181

IUPAC2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Oc3ccc(C)c(F)c3)nc(Cl)nc2s1
InChIInChI=1S/C14H10ClFN2OS/c1-7-3-4-9(6-11(7)16)19-12-10-5-8(2)20-13(10)18-14(15)17-12/h3-6H,1-2H3
InChIKeyMMXCYSHZSLHOKW-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.89
Rot. Bonds2

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

2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 107169181) has the molecular formula C14H10ClFN2OS and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
PubChem CID107169181
Molecular FormulaC14H10ClFN2OS
Molecular Weight308.77 g/mol
Exact Mass308.02
IUPAC Name2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Oc3ccc(C)c(F)c3)nc(Cl)nc2s1
InChIInChI=1S/C14H10ClFN2OS/c1-7-3-4-9(6-11(7)16)19-12-10-5-8(2)20-13(10)18-14(15)17-12/h3-6H,1-2H3
InChIKeyMMXCYSHZSLHOKW-UHFFFAOYSA-N
XLogP4.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320114
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-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
4-(4-bromo-3-methylphenoxy)-2-chloro-6-ethylthieno[2,3-d]pyrimidine
CID 103320225
2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
CID 103320160
2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860
2-chloro-6-methyl-4-(2-methylbut-3-yn-2-yloxy)thieno[2,3-d]pyrimidine
CID 103320244
2-chloro-6-methyl-4-pentan-2-yloxythieno[2,3-d]pyrimidine
CID 103320276

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine (CID 107169181) is 2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Oc3ccc(C)c(F)c3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is MMXCYSHZSLHOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2OS/c1-7-3-4-9(6-11(7)16)19-12-10-5-8(2)20-13(10)18-14(15)17-12/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine?
2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 308.77 g/mol, XLogP of 4.89, 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-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 107169181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).