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

C15H14FN3OS — CID 107171824

IUPAC6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Oc3ccc(C)c(F)c3)nc(N)nc2s1
InChIInChI=1S/C15H14FN3OS/c1-3-10-7-11-13(18-15(17)19-14(11)21-10)20-9-5-4-8(2)12(16)6-9/h4-7H,3H2,1-2H3,(H2,17,18,19)
InChIKeyFVZITJDJFKERBK-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.08
Rot. Bonds3

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

6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 107171824) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID107171824
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Oc3ccc(C)c(F)c3)nc(N)nc2s1
InChIInChI=1S/C15H14FN3OS/c1-3-10-7-11-13(18-15(17)19-14(11)21-10)20-9-5-4-8(2)12(16)6-9/h4-7H,3H2,1-2H3,(H2,17,18,19)
InChIKeyFVZITJDJFKERBK-UHFFFAOYSA-N
XLogP4.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331829
4-(5-chloro-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332918
6-ethyl-4-(3-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331770
6-ethyl-4-(3-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331559
6-ethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331942
4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333166
4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332531
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331676
4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline
CID 39187548
6-ethyl-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331898
4-(3-fluoro-4-methylphenoxy)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 107171739
2-chloro-4-(3-fluoro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 107169181

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine (CID 107171824) is 6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(Oc3ccc(C)c(F)c3)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is FVZITJDJFKERBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-3-10-7-11-13(18-15(17)19-14(11)21-10)20-9-5-4-8(2)12(16)6-9/h4-7H,3H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 303.36 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 107171824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).