5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine

C17H21N7O — CID 86302909

IUPAC5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC3)n2)cn1
InChIInChI=1S/C17H21N7O/c18-16-19-7-11(8-20-16)14-6-15(24-9-13-5-12(24)10-25-13)22-17(21-14)23-3-1-2-4-23/h6-8,12-13H,1-5,9-10H2,(H2,18,19,20)/t12-,13-/m0/s1
InChIKeyOGTRDZVBYRYPPK-STQMWFEESA-N
MW339.40 g/mol
LogP1.09
Rot. Bonds3

About 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine

5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 86302909) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine
PubChem CID86302909
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC3)n2)cn1
InChIInChI=1S/C17H21N7O/c18-16-19-7-11(8-20-16)14-6-15(24-9-13-5-12(24)10-25-13)22-17(21-14)23-3-1-2-4-23/h6-8,12-13H,1-5,9-10H2,(H2,18,19,20)/t12-,13-/m0/s1
InChIKeyOGTRDZVBYRYPPK-STQMWFEESA-N
XLogP1.09
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine (CID 86302909) is 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine is Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC3)n2)cn1.
What is the InChIKey of 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is OGTRDZVBYRYPPK-STQMWFEESA-N. The full InChI is InChI=1S/C17H21N7O/c18-16-19-7-11(8-20-16)14-6-15(24-9-13-5-12(24)10-25-13)22-17(21-14)23-3-1-2-4-23/h6-8,12-13H,1-5,9-10H2,(H2,18,19,20)/t12-,13-/m0/s1.
What are the key properties of 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine?
5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 339.40 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-pyrrolidin-1-ylpyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 86302909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).