[(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone

C12H16N4O — CID 97374226

IUPAC[(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CC[C@@]12CCCNC2
InChIInChI=1S/C12H16N4O/c17-11(10-2-6-14-9-15-10)16-7-4-12(16)3-1-5-13-8-12/h2,6,9,13H,1,3-5,7-8H2/t12-/m1/s1
InChIKeyAHVNZKQVWIQDAQ-GFCCVEGCSA-N
MW232.29 g/mol
LogP0.44
Rot. Bonds1

About [(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone

[(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 97374226) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone
PubChem CID97374226
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CC[C@@]12CCCNC2
InChIInChI=1S/C12H16N4O/c17-11(10-2-6-14-9-15-10)16-7-4-12(16)3-1-5-13-8-12/h2,6,9,13H,1,3-5,7-8H2/t12-/m1/s1
InChIKeyAHVNZKQVWIQDAQ-GFCCVEGCSA-N
XLogP0.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone (CID 97374226) is [(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CC[C@@]12CCCNC2.
What is the InChIKey of [(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is AHVNZKQVWIQDAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16N4O/c17-11(10-2-6-14-9-15-10)16-7-4-12(16)3-1-5-13-8-12/h2,6,9,13H,1,3-5,7-8H2/t12-/m1/s1.
What are the key properties of [(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone?
[(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 232.29 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-1,8-diazaspiro[3.5]nonan-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 97374226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).