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

C11H16N4S — CID 103324290

IUPAC4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)CCNc1nc(N)nc2sccc12
InChIInChI=1S/C11H16N4S/c1-7(2)3-5-13-9-8-4-6-16-10(8)15-11(12)14-9/h4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15)
InChIKeyCQHLWYYDYGPXRM-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.73
Rot. Bonds4

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

4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324290) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324290
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)CCNc1nc(N)nc2sccc12
InChIInChI=1S/C11H16N4S/c1-7(2)3-5-13-9-8-4-6-16-10(8)15-11(12)14-9/h4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15)
InChIKeyCQHLWYYDYGPXRM-UHFFFAOYSA-N
XLogP2.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-methylbutyl)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-(7-methyloctyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 107818983
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
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327647
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
4-N-benzylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324222
4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327918
4-N-[(5-ethylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106015430
4-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330644
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103325001
4-N-[(5-methylpyrazin-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327389

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103324290) is 4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine is CC(C)CCNc1nc(N)nc2sccc12.
What is the InChIKey of 4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CQHLWYYDYGPXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(2)3-5-13-9-8-4-6-16-10(8)15-11(12)14-9/h4,6-7H,3,5H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 236.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).