2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

C16H18N6S — CID 11997381

IUPAC2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc([C@@H]3CC4CC[C@@H]3N4)nc3ccsc23)n[nH]1
InChIInChI=1S/C16H18N6S/c1-8-6-13(22-21-8)19-16-14-12(4-5-23-14)18-15(20-16)10-7-9-2-3-11(10)17-9/h4-6,9-11,17H,2-3,7H2,1H3,(H2,18,19,20,21,22)/t9?,10-,11+/m1/s1
InChIKeyFPMJANQMLVRYSF-ZOCYIJKUSA-N
MW326.43 g/mol
LogP3.07
Rot. Bonds3

About 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 11997381) has the molecular formula C16H18N6S and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID11997381
Molecular FormulaC16H18N6S
Molecular Weight326.43 g/mol
Exact Mass326.13
IUPAC Name2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc([C@@H]3CC4CC[C@@H]3N4)nc3ccsc23)n[nH]1
InChIInChI=1S/C16H18N6S/c1-8-6-13(22-21-8)19-16-14-12(4-5-23-14)18-15(20-16)10-7-9-2-3-11(10)17-9/h4-6,9-11,17H,2-3,7H2,1H3,(H2,18,19,20,21,22)/t9?,10-,11+/m1/s1
InChIKeyFPMJANQMLVRYSF-ZOCYIJKUSA-N
XLogP3.07
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine (CID 11997381) is 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is Cc1cc(Nc2nc([C@@H]3CC4CC[C@@H]3N4)nc3ccsc23)n[nH]1.
What is the InChIKey of 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FPMJANQMLVRYSF-ZOCYIJKUSA-N. The full InChI is InChI=1S/C16H18N6S/c1-8-6-13(22-21-8)19-16-14-12(4-5-23-14)18-15(20-16)10-7-9-2-3-11(10)17-9/h4-6,9-11,17H,2-3,7H2,1H3,(H2,18,19,20,21,22)/t9?,10-,11+/m1/s1.
What are the key properties of 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine?
2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 326.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-(5-methyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 11997381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).