2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine

C14H10ClFN2OS — CID 103320145

IUPAC2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1ccc(F)c(Oc2nc(Cl)nc3sc(C)cc23)c1
InChIInChI=1S/C14H10ClFN2OS/c1-7-3-4-10(16)11(5-7)19-12-9-6-8(2)20-13(9)18-14(15)17-12/h3-6H,1-2H3
InChIKeyNDXPXTYORKJJAG-UHFFFAOYSA-N
MW308.77 g/mol
LogP4.89
Rot. Bonds2

About 2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine

2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 103320145) has the molecular formula C14H10ClFN2OS and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
PubChem CID103320145
Molecular FormulaC14H10ClFN2OS
Molecular Weight308.77 g/mol
Exact Mass308.02
IUPAC Name2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1ccc(F)c(Oc2nc(Cl)nc3sc(C)cc23)c1
InChIInChI=1S/C14H10ClFN2OS/c1-7-3-4-10(16)11(5-7)19-12-9-6-8(2)20-13(9)18-14(15)17-12/h3-6H,1-2H3
InChIKeyNDXPXTYORKJJAG-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-(2,4-difluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103319870
2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320114
2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 107169181
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
4-(2-bromophenoxy)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 103319762
2-chloro-4-(2-chloro-4-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidine
CID 103320088
2-chloro-6-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxythieno[2,3-d]pyrimidine
CID 103320160
4-(3-chloro-2-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333496
2-chloro-6-methyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidine
CID 103320167
4-(2-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331934
2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
CID 64854240
5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877850

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine (CID 103320145) is 2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine is Cc1ccc(F)c(Oc2nc(Cl)nc3sc(C)cc23)c1.
What is the InChIKey of 2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is NDXPXTYORKJJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2OS/c1-7-3-4-10(16)11(5-7)19-12-9-6-8(2)20-13(9)18-14(15)17-12/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine?
2-chloro-4-(2-fluoro-5-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-(2-fluoro-5-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 103320145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).