2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

C16H20N6 — CID 118746160

IUPAC2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESc1cnc(N2CCCC3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C16H20N6/c1-4-16(12-21(10-1)14-17-6-2-7-18-14)5-11-22(13-16)15-19-8-3-9-20-15/h2-3,6-9H,1,4-5,10-13H2
InChIKeyQNNTVDUAIZOLLY-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.76
Rot. Bonds2

About 2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 118746160) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
PubChem CID118746160
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESc1cnc(N2CCCC3(CCN(c4ncccn4)C3)C2)nc1
InChIInChI=1S/C16H20N6/c1-4-16(12-21(10-1)14-17-6-2-7-18-14)5-11-22(13-16)15-19-8-3-9-20-15/h2-3,6-9H,1,4-5,10-13H2
InChIKeyQNNTVDUAIZOLLY-UHFFFAOYSA-N
XLogP1.76
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (CID 118746160) is 2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is c1cnc(N2CCCC3(CCN(c4ncccn4)C3)C2)nc1.
What is the InChIKey of 2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is QNNTVDUAIZOLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-4-16(12-21(10-1)14-17-6-2-7-18-14)5-11-22(13-16)15-19-8-3-9-20-15/h2-3,6-9H,1,4-5,10-13H2.
What are the key properties of 2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 296.38 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-di(pyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 118746160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).