tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

C19H28N4O2S — CID 21062816

IUPACtert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(CC)sc2n1
InChIInChI=1S/C19H28N4O2S/c1-6-13-12-14-16(20-15(7-2)21-17(14)26-13)22-8-10-23(11-9-22)18(24)25-19(3,4)5/h12H,6-11H2,1-5H3
InChIKeyUBOIWTJAJGWGNA-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.87
Rot. Bonds3

About tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (PubChem CID 21062816) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
PubChem CID21062816
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Nametert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
SMILESCCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(CC)sc2n1
InChIInChI=1S/C19H28N4O2S/c1-6-13-12-14-16(20-15(7-2)21-17(14)26-13)22-8-10-23(11-9-22)18(24)25-19(3,4)5/h12H,6-11H2,1-5H3
InChIKeyUBOIWTJAJGWGNA-UHFFFAOYSA-N
XLogP3.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate 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-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
CID 50947714
[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91964872
N-[4-(4-acetylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]-2-aminoacetamide
CID 91124246
tert-butyl 4-(6-bromothieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062855
tert-butyl N-[5-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-5-oxopentyl]carbamate
CID 21062835
tert-butyl 4-(6-bromo-2-ethylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 104933625
CID 89017886
CID 89017886
2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873
[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 39073313
tert-butyl 4-(6-ethynylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062857
methyl 6-[4-[6-ethyl-2-(2-methoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]-6-oxohexanoate
CID 59763802
2-amino-N-[4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-6-ethylthieno[2,3-d]pyrimidin-2-yl]acetamide
CID 91245127

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate (CID 21062816) is tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is CCc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(CC)sc2n1.
What is the InChIKey of tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
The InChIKey is UBOIWTJAJGWGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-6-13-12-14-16(20-15(7-2)21-17(14)26-13)22-8-10-23(11-9-22)18(24)25-19(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate has a molecular weight of 376.53 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 21062816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).