4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine

C15H25N5S — CID 103330872

IUPAC4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(CC)CCCN(C)C)c2ccsc2n1
InChIInChI=1S/C15H25N5S/c1-5-16-15-17-13(12-8-11-21-14(12)18-15)20(6-2)10-7-9-19(3)4/h8,11H,5-7,9-10H2,1-4H3,(H,16,17,18)
InChIKeyYGFYSBABBIMJBX-UHFFFAOYSA-N
MW307.47 g/mol
LogP2.90
Rot. Bonds8

About 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330872) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330872
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N(CC)CCCN(C)C)c2ccsc2n1
InChIInChI=1S/C15H25N5S/c1-5-16-15-17-13(12-8-11-21-14(12)18-15)20(6-2)10-7-9-19(3)4/h8,11H,5-7,9-10H2,1-4H3,(H,16,17,18)
InChIKeyYGFYSBABBIMJBX-UHFFFAOYSA-N
XLogP2.90
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[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

3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103329993
2-N-ethyl-4-N-methyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325135
2-N-ethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325505
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
3-[ethyl-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-2-methylpropanenitrile
CID 103326361
2-N-ethyl-4-N-methyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324924
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495304
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326563
4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103335254
2-N-ethyl-4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325225
4-N-(cyclobutylmethyl)-2-N-ethyl-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327415
2-N-ethyl-4-N-methyl-4-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326516

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103330872) is 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N(CC)CCCN(C)C)c2ccsc2n1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YGFYSBABBIMJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5S/c1-5-16-15-17-13(12-8-11-21-14(12)18-15)20(6-2)10-7-9-19(3)4/h8,11H,5-7,9-10H2,1-4H3,(H,16,17,18).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 307.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N,4-N-diethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).