2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H21N3OS — CID 106815207

IUPAC2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CCOCC)nc2sc(C)c(C)c12
InChIInChI=1S/C14H21N3OS/c1-5-15-13-12-9(3)10(4)19-14(12)17-11(16-13)7-8-18-6-2/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyJFRORFVCKQWKJX-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.32
Rot. Bonds6

About 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 106815207) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID106815207
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CCOCC)nc2sc(C)c(C)c12
InChIInChI=1S/C14H21N3OS/c1-5-15-13-12-9(3)10(4)19-14(12)17-11(16-13)7-8-18-6-2/h5-8H2,1-4H3,(H,15,16,17)
InChIKeyJFRORFVCKQWKJX-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-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

2-(ethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62193496
N-ethyl-5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183200
2-[[2-ethoxyethyl(methyl)amino]methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 81062922
2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965467
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462
[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
CID 62194832
N-ethyl-5,6-dimethyl-2-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103987762
2-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 62195584
2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
CID 62183806
2-(2-methoxyethoxymethyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 62193550
N-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 91965470
5,6-dimethyl-2-(2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485014

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 106815207) is 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CCOCC)nc2sc(C)c(C)c12.
What is the InChIKey of 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JFRORFVCKQWKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-15-13-12-9(3)10(4)19-14(12)17-11(16-13)7-8-18-6-2/h5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106815207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).