2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine

C9H12N4O — CID 166532350

IUPAC2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine
SMILESNc1cnc(N2CC3(COC3)C2)nc1
InChIInChI=1S/C9H12N4O/c10-7-1-11-8(12-2-7)13-3-9(4-13)5-14-6-9/h1-2H,3-6,10H2
InChIKeyIUFQUBBEQCZJGX-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.10
Rot. Bonds1

About 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine

2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine (PubChem CID 166532350) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine
PubChem CID166532350
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine
SMILESNc1cnc(N2CC3(COC3)C2)nc1
InChIInChI=1S/C9H12N4O/c10-7-1-11-8(12-2-7)13-3-9(4-13)5-14-6-9/h1-2H,3-6,10H2
InChIKeyIUFQUBBEQCZJGX-UHFFFAOYSA-N
XLogP-0.10
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-oxa-6-azaspiro[3.3]heptan-6-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-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine?
The IUPAC name of 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine (CID 166532350) is 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine is Nc1cnc(N2CC3(COC3)C2)nc1.
What is the InChIKey of 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine?
The InChIKey is IUFQUBBEQCZJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-7-1-11-8(12-2-7)13-3-9(4-13)5-14-6-9/h1-2H,3-6,10H2.
What are the key properties of 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine?
2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine has a molecular weight of 192.22 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine is sourced from PubChem (CID 166532350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).