4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine

C25H25N3O3S — CID 133278747

IUPAC4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(N2CCc3cc(OC)c(OC)cc3C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C25H25N3O3S/c1-29-14-22-26-24(23-19(15-32-25(23)27-22)16-7-5-4-6-8-16)28-10-9-17-11-20(30-2)21(31-3)12-18(17)13-28/h4-8,11-12,15H,9-10,13-14H2,1-3H3
InChIKeyJFKIRFLBYDOQOK-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.08
Rot. Bonds6

About 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine

4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 133278747) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
PubChem CID133278747
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
SMILESCOCc1nc(N2CCc3cc(OC)c(OC)cc3C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C25H25N3O3S/c1-29-14-22-26-24(23-19(15-32-25(23)27-22)16-7-5-4-6-8-16)28-10-9-17-11-20(30-2)21(31-3)12-18(17)13-28/h4-8,11-12,15H,9-10,13-14H2,1-3H3
InChIKeyJFKIRFLBYDOQOK-UHFFFAOYSA-N
XLogP5.08
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[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

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine (CID 133278747) is 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine is COCc1nc(N2CCc3cc(OC)c(OC)cc3C2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is JFKIRFLBYDOQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-29-14-22-26-24(23-19(15-32-25(23)27-22)16-7-5-4-6-8-16)28-10-9-17-11-20(30-2)21(31-3)12-18(17)13-28/h4-8,11-12,15H,9-10,13-14H2,1-3H3.
What are the key properties of 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine?
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 447.56 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133278747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).