6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine

C13H20N4O — CID 80850546

IUPAC6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CC3CCC(C2)O3)ncn1
InChIInChI=1S/C13H20N4O/c1-2-5-14-12-6-13(16-9-15-12)17-7-10-3-4-11(8-17)18-10/h6,9-11H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyLHVBKFGATUFDKT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds4

About 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine

6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 80850546) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine
PubChem CID80850546
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CC3CCC(C2)O3)ncn1
InChIInChI=1S/C13H20N4O/c1-2-5-14-12-6-13(16-9-15-12)17-7-10-3-4-11(8-17)18-10/h6,9-11H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyLHVBKFGATUFDKT-UHFFFAOYSA-N
XLogP1.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine (CID 80850546) is 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(N2CC3CCC(C2)O3)ncn1.
What is the InChIKey of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is LHVBKFGATUFDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-5-14-12-6-13(16-9-15-12)17-7-10-3-4-11(8-17)18-10/h6,9-11H,2-5,7-8H2,1H3,(H,14,15,16).
What are the key properties of 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine?
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 248.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80850546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).