8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

C16H20N6O — CID 118745855

IUPAC8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCOC3(CCCN(c4cnccn4)C3)C2)nc1
InChIInChI=1S/C16H20N6O/c1-3-16(12-21(8-1)14-11-17-6-7-18-14)13-22(9-10-23-16)15-19-4-2-5-20-15/h2,4-7,11H,1,3,8-10,12-13H2
InChIKeyIBKNSNFMZDUCJV-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.14
Rot. Bonds2

About 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane

8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118745855) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118745855
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCOC3(CCCN(c4cnccn4)C3)C2)nc1
InChIInChI=1S/C16H20N6O/c1-3-16(12-21(8-1)14-11-17-6-7-18-14)13-22(9-10-23-16)15-19-4-2-5-20-15/h2,4-7,11H,1,3,8-10,12-13H2
InChIKeyIBKNSNFMZDUCJV-UHFFFAOYSA-N
XLogP1.14
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane 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 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118745855) is 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is c1cnc(N2CCOC3(CCCN(c4cnccn4)C3)C2)nc1.
What is the InChIKey of 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is IBKNSNFMZDUCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-3-16(12-21(8-1)14-11-17-6-7-18-14)13-22(9-10-23-16)15-19-4-2-5-20-15/h2,4-7,11H,1,3,8-10,12-13H2.
What are the key properties of 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane?
8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 312.38 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118745855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).