1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone

C17H25N5O2 — CID 72908755

IUPAC1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
SMILESO=C(CN1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2)N1CCOCC1
InChIInChI=1S/C17H25N5O2/c23-16(20-6-8-24-9-7-20)13-21-10-14-2-3-15(21)12-22(11-14)17-18-4-1-5-19-17/h1,4-5,14-15H,2-3,6-13H2/t14-,15-/m1/s1
InChIKeyZAGVJUDMMFIWRA-HUUCEWRRSA-N
MW331.42 g/mol
LogP0.24
Rot. Bonds3

About 1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone

1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone (PubChem CID 72908755) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
PubChem CID72908755
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
SMILESO=C(CN1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2)N1CCOCC1
InChIInChI=1S/C17H25N5O2/c23-16(20-6-8-24-9-7-20)13-21-10-14-2-3-15(21)12-22(11-14)17-18-4-1-5-19-17/h1,4-5,14-15H,2-3,6-13H2/t14-,15-/m1/s1
InChIKeyZAGVJUDMMFIWRA-HUUCEWRRSA-N
XLogP0.24
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone (CID 72908755) is 1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone is O=C(CN1C[C@H]2CC[C@@H]1CN(c1ncccn1)C2)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
The InChIKey is ZAGVJUDMMFIWRA-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-16(20-6-8-24-9-7-20)13-21-10-14-2-3-15(21)12-22(11-14)17-18-4-1-5-19-17/h1,4-5,14-15H,2-3,6-13H2/t14-,15-/m1/s1.
What are the key properties of 1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone has a molecular weight of 331.42 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone is sourced from PubChem (CID 72908755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).