2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine

C10H14N4O — CID 66393055

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine
SMILESNc1cnc(N2CC3CCC(C2)O3)nc1
InChIInChI=1S/C10H14N4O/c11-7-3-12-10(13-4-7)14-5-8-1-2-9(6-14)15-8/h3-4,8-9H,1-2,5-6,11H2
InChIKeyVCKCJRJBBRWSOL-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.43
Rot. Bonds1

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine (PubChem CID 66393055) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine
PubChem CID66393055
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine
SMILESNc1cnc(N2CC3CCC(C2)O3)nc1
InChIInChI=1S/C10H14N4O/c11-7-3-12-10(13-4-7)14-5-8-1-2-9(6-14)15-8/h3-4,8-9H,1-2,5-6,11H2
InChIKeyVCKCJRJBBRWSOL-UHFFFAOYSA-N
XLogP0.43
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-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-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine (CID 66393055) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine is Nc1cnc(N2CC3CCC(C2)O3)nc1.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine?
The InChIKey is VCKCJRJBBRWSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-7-3-12-10(13-4-7)14-5-8-1-2-9(6-14)15-8/h3-4,8-9H,1-2,5-6,11H2.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine has a molecular weight of 206.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-5-amine is sourced from PubChem (CID 66393055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).