6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine

C14H13N3OS2 — CID 103332557

IUPAC6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCSc1ccc(Oc2nc(N)nc3sc(C)cc23)cc1
InChIInChI=1S/C14H13N3OS2/c1-8-7-11-12(16-14(15)17-13(11)20-8)18-9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyNAORQOGWJQZPFW-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.10
Rot. Bonds3

About 6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine

6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103332557) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103332557
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCSc1ccc(Oc2nc(N)nc3sc(C)cc23)cc1
InChIInChI=1S/C14H13N3OS2/c1-8-7-11-12(16-14(15)17-13(11)20-8)18-9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H2,15,16,17)
InChIKeyNAORQOGWJQZPFW-UHFFFAOYSA-N
XLogP4.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluoro-3-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103333166
6-methyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331947
4-(2,3-dimethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331767
4-(2-chloro-4-methylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332445
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-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
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
2-chloro-4-(3-chloro-4-fluorophenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 103320114
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103332557) is 6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine is CSc1ccc(Oc2nc(N)nc3sc(C)cc23)cc1.
What is the InChIKey of 6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is NAORQOGWJQZPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-8-7-11-12(16-14(15)17-13(11)20-8)18-9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H2,15,16,17).
What are the key properties of 6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine?
6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 303.41 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103332557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).