2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C15H22N4O — CID 106471849

IUPAC2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCN1C2CCC1CC(c1nc(N)c3c(n1)CCOC3)C2
InChIInChI=1S/C15H22N4O/c1-19-10-2-3-11(19)7-9(6-10)15-17-13-4-5-20-8-12(13)14(16)18-15/h9-11H,2-8H2,1H3,(H2,16,17,18)
InChIKeyXJYGERRUWNLFSU-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.47
Rot. Bonds1

About 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106471849) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106471849
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCN1C2CCC1CC(c1nc(N)c3c(n1)CCOC3)C2
InChIInChI=1S/C15H22N4O/c1-19-10-2-3-11(19)7-9(6-10)15-17-13-4-5-20-8-12(13)14(16)18-15/h9-11H,2-8H2,1H3,(H2,16,17,18)
InChIKeyXJYGERRUWNLFSU-UHFFFAOYSA-N
XLogP1.47
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106471849) is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CN1C2CCC1CC(c1nc(N)c3c(n1)CCOC3)C2.
What is the InChIKey of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is XJYGERRUWNLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19-10-2-3-11(19)7-9(6-10)15-17-13-4-5-20-8-12(13)14(16)18-15/h9-11H,2-8H2,1H3,(H2,16,17,18).
What are the key properties of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 274.37 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106471849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).