4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine

C14H12FN3OS — CID 103333166

IUPAC4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Oc3ccc(F)c(C)c3)nc(N)nc2s1
InChIInChI=1S/C14H12FN3OS/c1-7-5-9(3-4-11(7)15)19-12-10-6-8(2)20-13(10)18-14(16)17-12/h3-6H,1-2H3,(H2,16,17,18)
InChIKeyWZHBVGRVNBTGOE-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.82
Rot. Bonds2

About 4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine

4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333166) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103333166
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Oc3ccc(F)c(C)c3)nc(N)nc2s1
InChIInChI=1S/C14H12FN3OS/c1-7-5-9(3-4-11(7)15)19-12-10-6-8(2)20-13(10)18-14(16)17-12/h3-6H,1-2H3,(H2,16,17,18)
InChIKeyWZHBVGRVNBTGOE-UHFFFAOYSA-N
XLogP3.82
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332557
6-methyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331947
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824
2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 107169181
2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320114
4-(2,3-dimethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331767
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-bromo-4-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331934
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
4-(2-ethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332009
4-(5-bromo-2-chlorophenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332585

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103333166) is 4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(Oc3ccc(F)c(C)c3)nc(N)nc2s1.
What is the InChIKey of 4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is WZHBVGRVNBTGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c1-7-5-9(3-4-11(7)15)19-12-10-6-8(2)20-13(10)18-14(16)17-12/h3-6H,1-2H3,(H2,16,17,18).
What are the key properties of 4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).