5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

C11H15N3O — CID 119103542

IUPAC5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCc1cc(C)nc(N2CC3CC2CO3)n1
InChIInChI=1S/C11H15N3O/c1-7-3-8(2)13-11(12-7)14-5-10-4-9(14)6-15-10/h3,9-10H,4-6H2,1-2H3
InChIKeyCEKWJGYKCYAQCW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.07
Rot. Bonds1

About 5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 119103542) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID119103542
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESCc1cc(C)nc(N2CC3CC2CO3)n1
InChIInChI=1S/C11H15N3O/c1-7-3-8(2)13-11(12-7)14-5-10-4-9(14)6-15-10/h3,9-10H,4-6H2,1-2H3
InChIKeyCEKWJGYKCYAQCW-UHFFFAOYSA-N
XLogP1.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 119103542) is 5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is Cc1cc(C)nc(N2CC3CC2CO3)n1.
What is the InChIKey of 5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is CEKWJGYKCYAQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-3-8(2)13-11(12-7)14-5-10-4-9(14)6-15-10/h3,9-10H,4-6H2,1-2H3.
What are the key properties of 5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 205.26 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethylpyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 119103542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).