4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine

C14H14N4O2S — CID 103323394

IUPAC4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(N)nc3sccc23)cc(OC)c1
InChIInChI=1S/C14H14N4O2S/c1-19-9-5-8(6-10(7-9)20-2)16-12-11-3-4-21-13(11)18-14(15)17-12/h3-7H,1-2H3,(H3,15,16,17,18)
InChIKeyBVDURWVUASDYOB-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.03
Rot. Bonds4

About 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323394) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323394
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nc(N)nc3sccc23)cc(OC)c1
InChIInChI=1S/C14H14N4O2S/c1-19-9-5-8(6-10(7-9)20-2)16-12-11-3-4-21-13(11)18-14(15)17-12/h3-7H,1-2H3,(H3,15,16,17,18)
InChIKeyBVDURWVUASDYOB-UHFFFAOYSA-N
XLogP3.03
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine 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-N-(3-bromo-4-methoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328583
N-(3-bromo-5-methoxyphenyl)-2-chlorothieno[2,3-d]pyrimidin-4-amine
CID 103322284
4-N-(3-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323570
4-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323343
4-N-(5-fluoro-2-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323664
4-N-(4-propylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324810
4-N-(2-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323332
4-N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323320
4-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 166774034
2-(3,5-dimethoxyphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103399652
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801722

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103323394) is 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is COc1cc(Nc2nc(N)nc3sccc23)cc(OC)c1.
What is the InChIKey of 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is BVDURWVUASDYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-19-9-5-8(6-10(7-9)20-2)16-12-11-3-4-21-13(11)18-14(15)17-12/h3-7H,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 302.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethoxyphenyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).