N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine

C11H12N4S — CID 43599139

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC2C3CNCC32)c2ccsc2n1
InChIInChI=1S/C11H12N4S/c1-2-16-11-6(1)10(13-5-14-11)15-9-7-3-12-4-8(7)9/h1-2,5,7-9,12H,3-4H2,(H,13,14,15)
InChIKeyUYBORHJCCBSLJV-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.32
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine

N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 43599139) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID43599139
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC2C3CNCC32)c2ccsc2n1
InChIInChI=1S/C11H12N4S/c1-2-16-11-6(1)10(13-5-14-11)15-9-7-3-12-4-8(7)9/h1-2,5,7-9,12H,3-4H2,(H,13,14,15)
InChIKeyUYBORHJCCBSLJV-UHFFFAOYSA-N
XLogP1.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine (CID 43599139) is N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine is c1nc(NC2C3CNCC32)c2ccsc2n1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UYBORHJCCBSLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-2-16-11-6(1)10(13-5-14-11)15-9-7-3-12-4-8(7)9/h1-2,5,7-9,12H,3-4H2,(H,13,14,15).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 232.31 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43599139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).