2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane

C16H18N4O — CID 155941776

IUPAC2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane
SMILESCOc1ncccc1-c1cnc(N2CC3CCC2C3)nc1
InChIInChI=1S/C16H18N4O/c1-21-15-14(3-2-6-17-15)12-8-18-16(19-9-12)20-10-11-4-5-13(20)7-11/h2-3,6,8-9,11,13H,4-5,7,10H2,1H3
InChIKeyZHUHKARJKJOKFY-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.54
Rot. Bonds3

About 2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane

2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane (PubChem CID 155941776) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane
PubChem CID155941776
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane
SMILESCOc1ncccc1-c1cnc(N2CC3CCC2C3)nc1
InChIInChI=1S/C16H18N4O/c1-21-15-14(3-2-6-17-15)12-8-18-16(19-9-12)20-10-11-4-5-13(20)7-11/h2-3,6,8-9,11,13H,4-5,7,10H2,1H3
InChIKeyZHUHKARJKJOKFY-UHFFFAOYSA-N
XLogP2.54
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]-N,N-dimethylpyridin-2-amine
CID 155941686
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]pyrimidin-5-amine
CID 166062500
2-(3-fluoro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 127437089
(1R,4S)-2-(4-pyrimidin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane
CID 70792646
2,3-bis[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-b]pyrazine
CID 98787854
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 113388147
3-(4-bromophenyl)-2-methoxypyridine
CID 66862331
propan-2-yl 2-(2-azabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxylate
CID 133468417
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83185190
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83185097
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54980530
2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
CID 134637897

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane (CID 155941776) is 2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane is COc1ncccc1-c1cnc(N2CC3CCC2C3)nc1.
What is the InChIKey of 2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane?
The InChIKey is ZHUHKARJKJOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-21-15-14(3-2-6-17-15)12-8-18-16(19-9-12)20-10-11-4-5-13(20)7-11/h2-3,6,8-9,11,13H,4-5,7,10H2,1H3.
What are the key properties of 2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane?
2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane has a molecular weight of 282.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 155941776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).