5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

C16H18N4OS2 — CID 863105

IUPAC5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3cccs3)nc(C)c2c1N
InChIInChI=1S/C16H18N4OS2/c1-4-20(5-2)16(21)13-12(17)11-9(3)18-14(19-15(11)23-13)10-7-6-8-22-10/h6-8H,4-5,17H2,1-3H3
InChIKeyRLOCVXRZDNAZAD-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.79
Rot. Bonds4

About 5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 863105) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID863105
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCN(CC)C(=O)c1sc2nc(-c3cccs3)nc(C)c2c1N
InChIInChI=1S/C16H18N4OS2/c1-4-20(5-2)16(21)13-12(17)11-9(3)18-14(19-15(11)23-13)10-7-6-8-22-10/h6-8H,4-5,17H2,1-3H3
InChIKeyRLOCVXRZDNAZAD-UHFFFAOYSA-N
XLogP3.79
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[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,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 863105) is 5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is CCN(CC)C(=O)c1sc2nc(-c3cccs3)nc(C)c2c1N.
What is the InChIKey of 5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is RLOCVXRZDNAZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-4-20(5-2)16(21)13-12(17)11-9(3)18-14(19-15(11)23-13)10-7-6-8-22-10/h6-8H,4-5,17H2,1-3H3.
What are the key properties of 5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-diethyl-4-methyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 863105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).