4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine

C21H26N4S — CID 50947714

IUPAC4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CCN(Cc3ccccc3)CC2)c2cc(CC)sc2n1
InChIInChI=1S/C21H26N4S/c1-3-17-14-18-20(22-19(4-2)23-21(18)26-17)25-12-10-24(11-13-25)15-16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3
InChIKeyKVFXSPVKDOQPEG-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.14
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine

4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine (PubChem CID 50947714) has the molecular formula C21H26N4S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
PubChem CID50947714
Molecular FormulaC21H26N4S
Molecular Weight366.53 g/mol
Exact Mass366.19
IUPAC Name4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CCN(Cc3ccccc3)CC2)c2cc(CC)sc2n1
InChIInChI=1S/C21H26N4S/c1-3-17-14-18-20(22-19(4-2)23-21(18)26-17)25-12-10-24(11-13-25)15-16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3
InChIKeyKVFXSPVKDOQPEG-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 16627332
4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
4-(4-benzylpiperazin-1-yl)-2-methyl-6-phenylthieno[2,3-d]pyrimidine
CID 985301
2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 91964890
[4-(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91964872
tert-butyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 21062816
4-(4-benzylpiperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 134352870
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965374
2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 6484478

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine (CID 50947714) is 4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine is CCc1nc(N2CCN(Cc3ccccc3)CC2)c2cc(CC)sc2n1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine?
The InChIKey is KVFXSPVKDOQPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S/c1-3-17-14-18-20(22-19(4-2)23-21(18)26-17)25-12-10-24(11-13-25)15-16-8-6-5-7-9-16/h5-9,14H,3-4,10-13,15H2,1-2H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine?
4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine has a molecular weight of 366.53 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 50947714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).