(2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine

C16H16N4S — CID 62592472

IUPAC(2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
SMILESNCC1Cc2ccccc2CN1c1ncnc2ccsc12
InChIInChI=1S/C16H16N4S/c17-8-13-7-11-3-1-2-4-12(11)9-20(13)16-15-14(5-6-21-15)18-10-19-16/h1-6,10,13H,7-9,17H2
InChIKeyZBUFDXXDEUQJRH-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.58
Rot. Bonds2

About (2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine

(2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine (PubChem CID 62592472) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is (2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine.

Molecular Properties

Compound Name(2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
PubChem CID62592472
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name(2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
SMILESNCC1Cc2ccccc2CN1c1ncnc2ccsc12
InChIInChI=1S/C16H16N4S/c17-8-13-7-11-3-1-2-4-12(11)9-20(13)16-15-14(5-6-21-15)18-10-19-16/h1-6,10,13H,7-9,17H2
InChIKeyZBUFDXXDEUQJRH-UHFFFAOYSA-N
XLogP2.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
The IUPAC name of (2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine (CID 62592472) is (2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine.
What is the SMILES notation for (2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
The canonical SMILES for (2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine is NCC1Cc2ccccc2CN1c1ncnc2ccsc12.
What is the InChIKey of (2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
The InChIKey is ZBUFDXXDEUQJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c17-8-13-7-11-3-1-2-4-12(11)9-20(13)16-15-14(5-6-21-15)18-10-19-16/h1-6,10,13H,7-9,17H2.
What are the key properties of (2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine?
(2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine has a molecular weight of 296.40 g/mol, XLogP of 2.58, 2 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-3-yl)methanamine is sourced from PubChem (CID 62592472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).