5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine

C17H21N5 — CID 155941686

IUPAC5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cnc(N3CC4CCC3C4)nc2)cn1
InChIInChI=1S/C17H21N5/c1-21(2)16-6-4-13(8-18-16)14-9-19-17(20-10-14)22-11-12-3-5-15(22)7-12/h4,6,8-10,12,15H,3,5,7,11H2,1-2H3
InChIKeyLUSNJOVIXIEMMS-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.59
Rot. Bonds3

About 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine

5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 155941686) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine
PubChem CID155941686
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cnc(N3CC4CCC3C4)nc2)cn1
InChIInChI=1S/C17H21N5/c1-21(2)16-6-4-13(8-18-16)14-9-19-17(20-10-14)22-11-12-3-5-15(22)7-12/h4,6,8-10,12,15H,3,5,7,11H2,1-2H3
InChIKeyLUSNJOVIXIEMMS-UHFFFAOYSA-N
XLogP2.59
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-amine
CID 166062500
2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane
CID 155941776
5-[5-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]-N,N-dimethylpyridin-2-amine
CID 166400903
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388147
(1R,4S)-2-(4-pyrimidin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane
CID 70792646
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185190
5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77088674
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185097
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62294491
(1S,4R)-2-[5-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[2.2.1]heptane
CID 144513339
2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline
CID 146041854
N,N-dimethyl-5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyridin-2-amine
CID 126430312

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine (CID 155941686) is 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2cnc(N3CC4CCC3C4)nc2)cn1.
What is the InChIKey of 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is LUSNJOVIXIEMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-21(2)16-6-4-13(8-18-16)14-9-19-17(20-10-14)22-11-12-3-5-15(22)7-12/h4,6,8-10,12,15H,3,5,7,11H2,1-2H3.
What are the key properties of 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine?
5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 155941686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).