2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

C15H16N4 — CID 56839992

IUPAC2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESc1ncc(-c2cncc(C3CC4CCC3N4)c2)cn1
InChIInChI=1S/C15H16N4/c1-2-15-14(4-13(1)19-15)11-3-10(5-16-6-11)12-7-17-9-18-8-12/h3,5-9,13-15,19H,1-2,4H2
InChIKeyJZNRZURIYZMTFB-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.15
Rot. Bonds2

About 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 56839992) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID56839992
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESc1ncc(-c2cncc(C3CC4CCC3N4)c2)cn1
InChIInChI=1S/C15H16N4/c1-2-15-14(4-13(1)19-15)11-3-10(5-16-6-11)12-7-17-9-18-8-12/h3,5-9,13-15,19H,1-2,4H2
InChIKeyJZNRZURIYZMTFB-UHFFFAOYSA-N
XLogP2.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45266048
(1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 122384669
4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]pyridin-2-amine
CID 56839988
(1R,2R,4S)-2-(5-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11369535
ethane;2-(5-thiophen-2-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 160751361
(1R,2R,4S)-2-(5,6-difluoro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11830689
(1R,2R,4S)-2-pyridazin-4-yl-7-azabicyclo[2.2.1]heptane
CID 10487486
(2S)-2-phenyl-7-azabicyclo[2.2.1]heptane
CID 10197910
2-[6-chloro-5-(4-chlorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
CID 75113144
(1R,2R,4S)-2-(6-fluoro-5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10901613
2-[6-fluoro-5-(4-fluorophenyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45266019
tert-butyl 2-(5-bromo-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate;tert-butyl 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate;but-2-yne;ethanol;propane;pyrimidin-5-ylboronic acid;bis(2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane);tetrahydrate
CID 158919693

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 56839992) is 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is c1ncc(-c2cncc(C3CC4CCC3N4)c2)cn1.
What is the InChIKey of 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is JZNRZURIYZMTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-15-14(4-13(1)19-15)11-3-10(5-16-6-11)12-7-17-9-18-8-12/h3,5-9,13-15,19H,1-2,4H2.
What are the key properties of 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 252.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrimidin-5-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 56839992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).