2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one

C12H17N3O — CID 112680552

IUPAC2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCN1C2CCC1CC(c1nccc(=O)[nH]1)C2
InChIInChI=1S/C12H17N3O/c1-15-9-2-3-10(15)7-8(6-9)12-13-5-4-11(16)14-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,13,14,16)
InChIKeyGEYCHAZQSSFODF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.11
Rot. Bonds1

About 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one

2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (PubChem CID 112680552) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
PubChem CID112680552
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
SMILESCN1C2CCC1CC(c1nccc(=O)[nH]1)C2
InChIInChI=1S/C12H17N3O/c1-15-9-2-3-10(15)7-8(6-9)12-13-5-4-11(16)14-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,13,14,16)
InChIKeyGEYCHAZQSSFODF-UHFFFAOYSA-N
XLogP1.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 136923775
2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466
2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one
CID 174801313
2-cycloheptyl-1H-pyrimidin-6-one
CID 65399530
2-(2-piperidin-3-ylethyl)-1H-pyrimidin-6-one
CID 84035398
4-hydroxy-5-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 112680559
4-hydroxy-5-iodo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 112680563
5-bromo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 112680567
5-iodo-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 112680568
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113385067
5-(aminomethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 113385093
5-(chloromethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one
CID 114205198

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one (CID 112680552) is 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is CN1C2CCC1CC(c1nccc(=O)[nH]1)C2.
What is the InChIKey of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is GEYCHAZQSSFODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-9-2-3-10(15)7-8(6-9)12-13-5-4-11(16)14-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,13,14,16).
What are the key properties of 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one?
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 219.29 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112680552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).