4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine

C16H17N3OS — CID 103331829

IUPAC4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Oc3cc(C)cc(C)c3)nc(N)nc2s1
InChIInChI=1S/C16H17N3OS/c1-4-12-8-13-14(18-16(17)19-15(13)21-12)20-11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H2,17,18,19)
InChIKeyUCBNWZGUYLUWMH-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.25
Rot. Bonds3

About 4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine

4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331829) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331829
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCc1cc2c(Oc3cc(C)cc(C)c3)nc(N)nc2s1
InChIInChI=1S/C16H17N3OS/c1-4-12-8-13-14(18-16(17)19-15(13)21-12)20-11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H2,17,18,19)
InChIKeyUCBNWZGUYLUWMH-UHFFFAOYSA-N
XLogP4.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331942
6-ethyl-4-(3-fluoro-4-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 107171824
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
4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)oxyaniline
CID 39187548
4-(5-chloro-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332918
6-ethyl-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331898
4-(4-bromo-2-methylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332531
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxyethanol
CID 103331574
3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol
CID 103331610
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331676
2-chloro-6-ethyl-4-(4-methylphenoxy)thieno[2,3-d]pyrimidine
CID 103319860

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103331829) is 4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine is CCc1cc2c(Oc3cc(C)cc(C)c3)nc(N)nc2s1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is UCBNWZGUYLUWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-4-12-8-13-14(18-16(17)19-15(13)21-12)20-11-6-9(2)5-10(3)7-11/h5-8H,4H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).