diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium

C23H32N5OS+ — CID 9195842

IUPACdiethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
SMILESCCc1ccccc1NC(=O)CNc1nc(C[NH+](CC)CC)nc2sc(C)c(C)c12
InChIInChI=1S/C23H31N5OS/c1-6-17-11-9-10-12-18(17)25-20(29)13-24-22-21-15(4)16(5)30-23(21)27-19(26-22)14-28(7-2)8-3/h9-12H,6-8,13-14H2,1-5H3,(H,25,29)(H,24,26,27)/p+1
InChIKeyWLCCHEJLFRQLEK-UHFFFAOYSA-O
MW426.61 g/mol
LogP3.35
Rot. Bonds9

About diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium

diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium (PubChem CID 9195842) has the molecular formula C23H32N5OS+ and a molecular weight of 426.61 g/mol. Its IUPAC name is diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium.

Molecular Properties

Compound Namediethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
PubChem CID9195842
Molecular FormulaC23H32N5OS+
Molecular Weight426.61 g/mol
Exact Mass426.23
IUPAC Namediethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
SMILESCCc1ccccc1NC(=O)CNc1nc(C[NH+](CC)CC)nc2sc(C)c(C)c12
InChIInChI=1S/C23H31N5OS/c1-6-17-11-9-10-12-18(17)25-20(29)13-24-22-21-15(4)16(5)30-23(21)27-19(26-22)14-28(7-2)8-3/h9-12H,6-8,13-14H2,1-5H3,(H,25,29)(H,24,26,27)/p+1
InChIKeyWLCCHEJLFRQLEK-UHFFFAOYSA-O
XLogP3.35
TPSA71.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl-[[4-[2-(2-fluorophenoxy)ethylamino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium
CID 8894817
N-(2,6-dimethylphenyl)-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195720
N-(2-chlorophenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965399
2-ethyl-5,6-dimethyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965458
N-(2-ethylphenyl)-2-(quinoxalin-2-ylamino)acetamide
CID 33371597
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074
4-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 91964726
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462
N-(2-benzylphenyl)-2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 41032920
N-[(2-chlorophenyl)methyl]-2-[[(2-chlorophenyl)methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 2125559
3-[(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 91965421
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876

Frequently Asked Questions

What is the IUPAC name of diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium?
The IUPAC name of diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium (CID 9195842) is diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium.
What is the SMILES notation for diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium?
The canonical SMILES for diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium is CCc1ccccc1NC(=O)CNc1nc(C[NH+](CC)CC)nc2sc(C)c(C)c12.
What is the InChIKey of diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium?
The InChIKey is WLCCHEJLFRQLEK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H31N5OS/c1-6-17-11-9-10-12-18(17)25-20(29)13-24-22-21-15(4)16(5)30-23(21)27-19(26-22)14-28(7-2)8-3/h9-12H,6-8,13-14H2,1-5H3,(H,25,29)(H,24,26,27)/p+1.
What are the key properties of diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium?
diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium has a molecular weight of 426.61 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[[4-[[2-(2-ethylanilino)-2-oxoethyl]amino]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]azanium is sourced from PubChem (CID 9195842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).