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

C16H17N3OS — CID 103331816

IUPAC4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cc(C)ccc2C)c2ccsc2n1
InChIInChI=1S/C16H17N3OS/c1-4-17-16-18-14(12-7-8-21-15(12)19-16)20-13-9-10(2)5-6-11(13)3/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyIDPJLKRCYFPUKI-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.53
Rot. Bonds4

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

4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331816) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331816
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Oc2cc(C)ccc2C)c2ccsc2n1
InChIInChI=1S/C16H17N3OS/c1-4-17-16-18-14(12-7-8-21-15(12)19-16)20-13-9-10(2)5-6-11(13)3/h5-9H,4H2,1-3H3,(H,17,18,19)
InChIKeyIDPJLKRCYFPUKI-UHFFFAOYSA-N
XLogP4.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-bromo-2-methylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 107287415
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842
N-ethyl-4-[(5-methyl-1H-pyrazol-3-yl)oxy]thieno[2,3-d]pyrimidin-2-amine
CID 103333102
4-(2-methylphenoxy)-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331849
N-ethyl-4-(2-ethylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332005
4-(3,5-difluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103332454
4-(3-bromo-4-fluorophenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103333352
4-(2-chloro-5-methylphenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332016
[4-(2-fluoro-5-methylphenoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336348
N-ethyl-4-(3-fluorophenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331903
N-ethyl-4-(1-methylpyrazol-4-yl)oxythieno[2,3-d]pyrimidin-2-amine
CID 103333500
N-ethyl-4-pentoxythieno[2,3-d]pyrimidin-2-amine
CID 103331646

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine (CID 103331816) is 4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Oc2cc(C)ccc2C)c2ccsc2n1.
What is the InChIKey of 4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is IDPJLKRCYFPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-4-17-16-18-14(12-7-8-21-15(12)19-16)20-13-9-10(2)5-6-11(13)3/h5-9H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine?
4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)-N-ethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).