2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C16H17N3S — CID 83192959

IUPAC2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(C2CCc3ccccc3C2)nc2c1CSC2
InChIInChI=1S/C16H17N3S/c17-15-13-8-20-9-14(13)18-16(19-15)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,12H,5-9H2,(H2,17,18,19)
InChIKeyISIJSYMBWBJHSX-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.08
Rot. Bonds1

About 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83192959) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83192959
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESNc1nc(C2CCc3ccccc3C2)nc2c1CSC2
InChIInChI=1S/C16H17N3S/c17-15-13-8-20-9-14(13)18-16(19-15)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,12H,5-9H2,(H2,17,18,19)
InChIKeyISIJSYMBWBJHSX-UHFFFAOYSA-N
XLogP3.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83192959) is 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Nc1nc(C2CCc3ccccc3C2)nc2c1CSC2.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is ISIJSYMBWBJHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-15-13-8-20-9-14(13)18-16(19-15)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,12H,5-9H2,(H2,17,18,19).
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 283.40 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83192959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).