2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane

C12H17N3 — CID 126817544

IUPAC2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane
SMILESCc1cc(N2CCCC3CC32)nc(C)n1
InChIInChI=1S/C12H17N3/c1-8-6-12(14-9(2)13-8)15-5-3-4-10-7-11(10)15/h6,10-11H,3-5,7H2,1-2H3
InChIKeyIIEYORZRMZJJMQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.08
Rot. Bonds1

About 2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane

2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane (PubChem CID 126817544) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane
PubChem CID126817544
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane
SMILESCc1cc(N2CCCC3CC32)nc(C)n1
InChIInChI=1S/C12H17N3/c1-8-6-12(14-9(2)13-8)15-5-3-4-10-7-11(10)15/h6,10-11H,3-5,7H2,1-2H3
InChIKeyIIEYORZRMZJJMQ-UHFFFAOYSA-N
XLogP2.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane (CID 126817544) is 2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane is Cc1cc(N2CCCC3CC32)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane?
The InChIKey is IIEYORZRMZJJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8-6-12(14-9(2)13-8)15-5-3-4-10-7-11(10)15/h6,10-11H,3-5,7H2,1-2H3.
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane?
2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane has a molecular weight of 203.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)-2-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 126817544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).