6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane

C14H21N3 — CID 136528530

IUPAC6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)c1nccc(N2CC3C(C2)C3(C)C)n1
InChIInChI=1S/C14H21N3/c1-9(2)13-15-6-5-12(16-13)17-7-10-11(8-17)14(10,3)4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyDBKKSWYJAFXUPG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds2

About 6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane

6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 136528530) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID136528530
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESCC(C)c1nccc(N2CC3C(C2)C3(C)C)n1
InChIInChI=1S/C14H21N3/c1-9(2)13-15-6-5-12(16-13)17-7-10-11(8-17)14(10,3)4/h5-6,9-11H,7-8H2,1-4H3
InChIKeyDBKKSWYJAFXUPG-UHFFFAOYSA-N
XLogP2.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane (CID 136528530) is 6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane is CC(C)c1nccc(N2CC3C(C2)C3(C)C)n1.
What is the InChIKey of 6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is DBKKSWYJAFXUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-9(2)13-15-6-5-12(16-13)17-7-10-11(8-17)14(10,3)4/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane?
6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 231.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-(2-propan-2-ylpyrimidin-4-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 136528530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).