8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

C13H20N4 — CID 55149656

IUPAC8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cc(C)nc(N2C3CCC2CC(N)C3)n1
InChIInChI=1S/C13H20N4/c1-8-5-9(2)16-13(15-8)17-11-3-4-12(17)7-10(14)6-11/h5,10-12H,3-4,6-7,14H2,1-2H3
InChIKeyPGJVFPGYJKNBOB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.55
Rot. Bonds1

About 8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55149656) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55149656
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cc(C)nc(N2C3CCC2CC(N)C3)n1
InChIInChI=1S/C13H20N4/c1-8-5-9(2)16-13(15-8)17-11-3-4-12(17)7-10(14)6-11/h5,10-12H,3-4,6-7,14H2,1-2H3
InChIKeyPGJVFPGYJKNBOB-UHFFFAOYSA-N
XLogP1.55
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 55149656) is 8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1cc(C)nc(N2C3CCC2CC(N)C3)n1.
What is the InChIKey of 8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PGJVFPGYJKNBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-8-5-9(2)16-13(15-8)17-11-3-4-12(17)7-10(14)6-11/h5,10-12H,3-4,6-7,14H2,1-2H3.
What are the key properties of 8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 232.33 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55149656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).