N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine

C15H14N4S — CID 80548012

IUPACN-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1cc2c(c(Nc3ncnc4ccsc34)c1)CCNC2
InChIInChI=1S/C15H14N4S/c1-2-10-8-16-6-4-11(10)12(3-1)19-15-14-13(5-7-20-14)17-9-18-15/h1-3,5,7,9,16H,4,6,8H2,(H,17,18,19)
InChIKeyXRZSVIKYBWKOKQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.08
Rot. Bonds2

About N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 80548012) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID80548012
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESc1cc2c(c(Nc3ncnc4ccsc34)c1)CCNC2
InChIInChI=1S/C15H14N4S/c1-2-10-8-16-6-4-11(10)12(3-1)19-15-14-13(5-7-20-14)17-9-18-15/h1-3,5,7,9,16H,4,6,8H2,(H,17,18,19)
InChIKeyXRZSVIKYBWKOKQ-UHFFFAOYSA-N
XLogP3.08
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine (CID 80548012) is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine is c1cc2c(c(Nc3ncnc4ccsc34)c1)CCNC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is XRZSVIKYBWKOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-2-10-8-16-6-4-11(10)12(3-1)19-15-14-13(5-7-20-14)17-9-18-15/h1-3,5,7,9,16H,4,6,8H2,(H,17,18,19).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine?
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 282.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 80548012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).