2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

C17H19N7S — CID 15953852

IUPAC2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESNC1[C@H]2CN(c3nc(Nc4cc(C5CC5)[nH]n4)c4sccc4n3)C[C@@H]12
InChIInChI=1S/C17H19N7S/c18-14-9-6-24(7-10(9)14)17-19-11-3-4-25-15(11)16(21-17)20-13-5-12(22-23-13)8-1-2-8/h3-5,8-10,14H,1-2,6-7,18H2,(H2,19,20,21,22,23)/t9-,10+,14?
InChIKeyQXQGBBYXXQZSKI-XFLKPENQSA-N
MW353.46 g/mol
LogP2.43
Rot. Bonds4

About 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 15953852) has the molecular formula C17H19N7S and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID15953852
Molecular FormulaC17H19N7S
Molecular Weight353.46 g/mol
Exact Mass353.14
IUPAC Name2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESNC1[C@H]2CN(c3nc(Nc4cc(C5CC5)[nH]n4)c4sccc4n3)C[C@@H]12
InChIInChI=1S/C17H19N7S/c18-14-9-6-24(7-10(9)14)17-19-11-3-4-25-15(11)16(21-17)20-13-5-12(22-23-13)8-1-2-8/h3-5,8-10,14H,1-2,6-7,18H2,(H2,19,20,21,22,23)/t9-,10+,14?
InChIKeyQXQGBBYXXQZSKI-XFLKPENQSA-N
XLogP2.43
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 15953852) is 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is NC1[C@H]2CN(c3nc(Nc4cc(C5CC5)[nH]n4)c4sccc4n3)C[C@@H]12.
What is the InChIKey of 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QXQGBBYXXQZSKI-XFLKPENQSA-N. The full InChI is InChI=1S/C17H19N7S/c18-14-9-6-24(7-10(9)14)17-19-11-3-4-25-15(11)16(21-17)20-13-5-12(22-23-13)8-1-2-8/h3-5,8-10,14H,1-2,6-7,18H2,(H2,19,20,21,22,23)/t9-,10+,14?.
What are the key properties of 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 353.46 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 15953852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).