4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine

C15H24N4S — CID 107818983

IUPAC4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)CCCCCCNc1nc(N)nc2sccc12
InChIInChI=1S/C15H24N4S/c1-11(2)7-5-3-4-6-9-17-13-12-8-10-20-14(12)19-15(16)18-13/h8,10-11H,3-7,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyYMYKJSHIYPDKCJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.29
Rot. Bonds8

About 4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine

4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 107818983) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID107818983
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)CCCCCCNc1nc(N)nc2sccc12
InChIInChI=1S/C15H24N4S/c1-11(2)7-5-3-4-6-9-17-13-12-8-10-20-14(12)19-15(16)18-13/h8,10-11H,3-7,9H2,1-2H3,(H3,16,17,18,19)
InChIKeyYMYKJSHIYPDKCJ-UHFFFAOYSA-N
XLogP4.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-(7-methyloctyl)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-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324290
5-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 114148662
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
5-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-2-ol
CID 106138174
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330644
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
4-N-[2-(3,5-difluorophenyl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327318
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455
2-(4-methylpentoxymethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62193587

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 107818983) is 4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine is CC(C)CCCCCCNc1nc(N)nc2sccc12.
What is the InChIKey of 4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YMYKJSHIYPDKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-11(2)7-5-3-4-6-9-17-13-12-8-10-20-14(12)19-15(16)18-13/h8,10-11H,3-7,9H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 292.45 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 107818983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).