7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane

C14H19N3 — CID 171337916

IUPAC7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane
SMILESc1nc(C2CCC2)cc(N2C3CCC2CC3)n1
InChIInChI=1S/C14H19N3/c1-2-10(3-1)13-8-14(16-9-15-13)17-11-4-5-12(17)7-6-11/h8-12H,1-7H2
InChIKeyOWOFSSQXXABNLZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.88
Rot. Bonds2

About 7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane

7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane (PubChem CID 171337916) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane
PubChem CID171337916
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane
SMILESc1nc(C2CCC2)cc(N2C3CCC2CC3)n1
InChIInChI=1S/C14H19N3/c1-2-10(3-1)13-8-14(16-9-15-13)17-11-4-5-12(17)7-6-11/h8-12H,1-7H2
InChIKeyOWOFSSQXXABNLZ-UHFFFAOYSA-N
XLogP2.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane (CID 171337916) is 7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane is c1nc(C2CCC2)cc(N2C3CCC2CC3)n1.
What is the InChIKey of 7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is OWOFSSQXXABNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-10(3-1)13-8-14(16-9-15-13)17-11-4-5-12(17)7-6-11/h8-12H,1-7H2.
What are the key properties of 7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane?
7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 229.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-cyclobutylpyrimidin-4-yl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 171337916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).