2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine

C24H23N3S — CID 91964890

IUPAC2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCc4ccccc4C3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C24H23N3S/c1-2-20-15-21-23(27-13-12-18-10-6-7-11-19(18)16-27)25-22(26-24(21)28-20)14-17-8-4-3-5-9-17/h3-11,15H,2,12-14,16H2,1H3
InChIKeyCQVRYMPLRFGFPJ-UHFFFAOYSA-N
MW385.54 g/mol
LogP5.41
Rot. Bonds4

About 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine

2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine (PubChem CID 91964890) has the molecular formula C24H23N3S and a molecular weight of 385.54 g/mol. Its IUPAC name is 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
PubChem CID91964890
Molecular FormulaC24H23N3S
Molecular Weight385.54 g/mol
Exact Mass385.16
IUPAC Name2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCc4ccccc4C3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C24H23N3S/c1-2-20-15-21-23(27-13-12-18-10-6-7-11-19(18)16-27)25-22(26-24(21)28-20)14-17-8-4-3-5-9-17/h3-11,15H,2,12-14,16H2,1H3
InChIKeyCQVRYMPLRFGFPJ-UHFFFAOYSA-N
XLogP5.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine 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

2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 91965067
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
[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
4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 71882683
2-benzyl-N-(4-chlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964737
4-[(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 91964744
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 2561349
4-(2-benzyl-2,7-diazaspiro[3.4]octan-7-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 160621827

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine (CID 91964890) is 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine is CCc1cc2c(N3CCc4ccccc4C3)nc(Cc3ccccc3)nc2s1.
What is the InChIKey of 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
The InChIKey is CQVRYMPLRFGFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3S/c1-2-20-15-21-23(27-13-12-18-10-6-7-11-19(18)16-27)25-22(26-24(21)28-20)14-17-8-4-3-5-9-17/h3-11,15H,2,12-14,16H2,1H3.
What are the key properties of 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine?
2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine has a molecular weight of 385.54 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91964890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).