2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine

C14H21N3O — CID 75379852

IUPAC2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1nccc(NC2CC3CCC2O3)n1
InChIInChI=1S/C14H21N3O/c1-14(2,3)13-15-7-6-12(17-13)16-10-8-9-4-5-11(10)18-9/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,16,17)
InChIKeyKUZVTFJKIVNGIY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.51
Rot. Bonds2

About 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine

2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine (PubChem CID 75379852) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
PubChem CID75379852
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine
SMILESCC(C)(C)c1nccc(NC2CC3CCC2O3)n1
InChIInChI=1S/C14H21N3O/c1-14(2,3)13-15-7-6-12(17-13)16-10-8-9-4-5-11(10)18-9/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,16,17)
InChIKeyKUZVTFJKIVNGIY-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine (CID 75379852) is 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine is CC(C)(C)c1nccc(NC2CC3CCC2O3)n1.
What is the InChIKey of 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine?
The InChIKey is KUZVTFJKIVNGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)13-15-7-6-12(17-13)16-10-8-9-4-5-11(10)18-9/h6-7,9-11H,4-5,8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine?
2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 75379852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).