2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine

C25H26N4S — CID 91964873

IUPAC2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ccccc4)CC3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C25H26N4S/c1-2-21-18-22-24(29-15-13-28(14-16-29)20-11-7-4-8-12-20)26-23(27-25(22)30-21)17-19-9-5-3-6-10-19/h3-12,18H,2,13-17H2,1H3
InChIKeyIQWDATFQZWHNRC-UHFFFAOYSA-N
MW414.58 g/mol
LogP5.17
Rot. Bonds5

About 2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine

2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 91964873) has the molecular formula C25H26N4S and a molecular weight of 414.58 g/mol. Its IUPAC name is 2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID91964873
Molecular FormulaC25H26N4S
Molecular Weight414.58 g/mol
Exact Mass414.19
IUPAC Name2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(c4ccccc4)CC3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C25H26N4S/c1-2-21-18-22-24(29-15-13-28(14-16-29)20-11-7-4-8-12-20)26-23(27-25(22)30-21)17-19-9-5-3-6-10-19/h3-12,18H,2,13-17H2,1H3
InChIKeyIQWDATFQZWHNRC-UHFFFAOYSA-N
XLogP5.17
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.58
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
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
4-(4-benzylpiperazin-1-yl)-2,6-diethylthieno[2,3-d]pyrimidine
CID 50947714
2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 91965057
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
6-ethyl-2-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 16627332
2-benzyl-6-ethyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964818
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720
4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965383
4-[(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 91964744

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 91964873) is 2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(c4ccccc4)CC3)nc(Cc3ccccc3)nc2s1.
What is the InChIKey of 2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is IQWDATFQZWHNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4S/c1-2-21-18-22-24(29-15-13-28(14-16-29)20-11-7-4-8-12-20)26-23(27-25(22)30-21)17-19-9-5-3-6-10-19/h3-12,18H,2,13-17H2,1H3.
What are the key properties of 2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 414.58 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 91964873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).