9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone

C15H22N4O — CID 171946068

IUPAC9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone
SMILESCN(C)c1ncc(C(=O)C2CC3CCCC(C2)N3)cn1
InChIInChI=1S/C15H22N4O/c1-19(2)15-16-8-11(9-17-15)14(20)10-6-12-4-3-5-13(7-10)18-12/h8-10,12-13,18H,3-7H2,1-2H3
InChIKeyHKHOPWLQKJKAGW-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.65
Rot. Bonds3

About 9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone

9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone (PubChem CID 171946068) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone
PubChem CID171946068
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone
SMILESCN(C)c1ncc(C(=O)C2CC3CCCC(C2)N3)cn1
InChIInChI=1S/C15H22N4O/c1-19(2)15-16-8-11(9-17-15)14(20)10-6-12-4-3-5-13(7-10)18-12/h8-10,12-13,18H,3-7H2,1-2H3
InChIKeyHKHOPWLQKJKAGW-UHFFFAOYSA-N
XLogP1.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
CID 171946208
9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone
CID 171944685
9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
CID 171943405
9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone
CID 171937463
8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
CID 171944750
9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone
CID 171945695
8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
CID 171941310
1-[2-(dimethylamino)pyrimidin-5-yl]ethanone
CID 45086334
9-azabicyclo[3.3.1]nonan-3-yl-[3-(trifluoromethyl)phenyl]methanone
CID 171941494
9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyrimidin-3-yl)methanone
CID 171945520
9-azabicyclo[3.3.1]nonan-3-yl(imidazo[1,2-a]pyridin-3-yl)methanone
CID 171945770
2-(9-azabicyclo[3.3.1]nonane-3-carbonyl)-4,5-difluorobenzonitrile
CID 171939832

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone (CID 171946068) is 9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone is CN(C)c1ncc(C(=O)C2CC3CCCC(C2)N3)cn1.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone?
The InChIKey is HKHOPWLQKJKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19(2)15-16-8-11(9-17-15)14(20)10-6-12-4-3-5-13(7-10)18-12/h8-10,12-13,18H,3-7H2,1-2H3.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone?
9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone has a molecular weight of 274.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone is sourced from PubChem (CID 171946068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).