2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine

C15H14N4S — CID 114524521

IUPAC2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(c1ncnc3ccsc13)CC2
InChIInChI=1S/C15H14N4S/c16-12-3-1-2-10-4-6-19(8-11(10)12)15-14-13(5-7-20-14)17-9-18-15/h1-3,5,7,9H,4,6,8,16H2
InChIKeyJSFNVPBOLXCWBV-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.84
Rot. Bonds1

About 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine

2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524521) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524521
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
SMILESNc1cccc2c1CN(c1ncnc3ccsc13)CC2
InChIInChI=1S/C15H14N4S/c16-12-3-1-2-10-4-6-19(8-11(10)12)15-14-13(5-7-20-14)17-9-18-15/h1-3,5,7,9H,4,6,8,16H2
InChIKeyJSFNVPBOLXCWBV-UHFFFAOYSA-N
XLogP2.84
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine 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

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532
2-(6-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524429
1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-amine;dihydrochloride
CID 146077996
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-5-bromo-1H-pyrimidin-6-one
CID 136979156
2-quinolin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524293
2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524501
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carbonitrile
CID 114524411
2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524399
(2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
CID 62592472
4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
CID 136534406
4-(3,5-dimethylpiperazin-1-yl)thieno[3,2-d]pyrimidine
CID 55091235
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-6-amine
CID 64586865

Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524521) is 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine is Nc1cccc2c1CN(c1ncnc3ccsc13)CC2.
What is the InChIKey of 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is JSFNVPBOLXCWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c16-12-3-1-2-10-4-6-19(8-11(10)12)15-14-13(5-7-20-14)17-9-18-15/h1-3,5,7,9H,4,6,8,16H2.
What are the key properties of 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine?
2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 282.37 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).