2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine

C17H26N4OS — CID 133405300

IUPAC2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CC(C)N(CCOC)C(C)C2)c2ccsc2n1
InChIInChI=1S/C17H26N4OS/c1-5-15-18-16(14-6-9-23-17(14)19-15)20-10-12(2)21(7-8-22-4)13(3)11-20/h6,9,12-13H,5,7-8,10-11H2,1-4H3
InChIKeyGKJMWGPRBSGGAN-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.80
Rot. Bonds5

About 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine

2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133405300) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133405300
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CC(C)N(CCOC)C(C)C2)c2ccsc2n1
InChIInChI=1S/C17H26N4OS/c1-5-15-18-16(14-6-9-23-17(14)19-15)20-10-12(2)21(7-8-22-4)13(3)11-20/h6,9,12-13H,5,7-8,10-11H2,1-4H3
InChIKeyGKJMWGPRBSGGAN-UHFFFAOYSA-N
XLogP2.80
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403125
4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403862
2-ethyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403917
methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133403396
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133423681
4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 167855469
4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327794
[4-(3,4,5-trimethylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335844
2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403291
3-ethoxy-7-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-7-azaspiro[3.5]nonan-1-ol
CID 133403099
2,2-diethyl-4-(2-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-thiazinane 1-oxide
CID 133479437

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine (CID 133405300) is 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine is CCc1nc(N2CC(C)N(CCOC)C(C)C2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is GKJMWGPRBSGGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-5-15-18-16(14-6-9-23-17(14)19-15)20-10-12(2)21(7-8-22-4)13(3)11-20/h6,9,12-13H,5,7-8,10-11H2,1-4H3.
What are the key properties of 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 334.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133405300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).