5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C11H14N4OS — CID 112755828

IUPAC5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(C)C(=O)c1sc2nc(C)ncc2c1N
InChIInChI=1S/C11H14N4OS/c1-4-15(3)11(16)9-8(12)7-5-13-6(2)14-10(7)17-9/h5H,4,12H2,1-3H3
InChIKeyIPVVWGXNESBCJD-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.67
Rot. Bonds2

About 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 112755828) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID112755828
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(C)C(=O)c1sc2nc(C)ncc2c1N
InChIInChI=1S/C11H14N4OS/c1-4-15(3)11(16)9-8(12)7-5-13-6(2)14-10(7)17-9/h5H,4,12H2,1-3H3
InChIKeyIPVVWGXNESBCJD-UHFFFAOYSA-N
XLogP1.67
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 112755828) is 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCN(C)C(=O)c1sc2nc(C)ncc2c1N.
What is the InChIKey of 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is IPVVWGXNESBCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-4-15(3)11(16)9-8(12)7-5-13-6(2)14-10(7)17-9/h5H,4,12H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N,2-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 112755828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).