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

C23H21N3S — CID 91965067

IUPAC2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCc4ccccc4C3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C23H21N3S/c1-16-13-20-22(26-12-11-18-9-5-6-10-19(18)15-26)24-21(25-23(20)27-16)14-17-7-3-2-4-8-17/h2-10,13H,11-12,14-15H2,1H3
InChIKeyDEEIXZIVBLUHSY-UHFFFAOYSA-N
MW371.51 g/mol
LogP5.15
Rot. Bonds3

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

2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine (PubChem CID 91965067) has the molecular formula C23H21N3S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
PubChem CID91965067
Molecular FormulaC23H21N3S
Molecular Weight371.51 g/mol
Exact Mass371.15
IUPAC Name2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCc4ccccc4C3)nc(Cc3ccccc3)nc2s1
InChIInChI=1S/C23H21N3S/c1-16-13-20-22(26-12-11-18-9-5-6-10-19(18)15-26)24-21(25-23(20)27-16)14-17-7-3-2-4-8-17/h2-10,13H,11-12,14-15H2,1H3
InChIKeyDEEIXZIVBLUHSY-UHFFFAOYSA-N
XLogP5.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 91964890
4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 133407195
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 91965057
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
2-benzyl-N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965023
2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873
2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 50946840
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-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 91964940
2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 4083738

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine (CID 91965067) is 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(N3CCc4ccccc4C3)nc(Cc3ccccc3)nc2s1.
What is the InChIKey of 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is DEEIXZIVBLUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3S/c1-16-13-20-22(26-12-11-18-9-5-6-10-19(18)15-26)24-21(25-23(20)27-16)14-17-7-3-2-4-8-17/h2-10,13H,11-12,14-15H2,1H3.
What are the key properties of 2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine?
2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 371.51 g/mol, XLogP of 5.15, 3 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-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91965067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).