2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane

C16H20N6 — CID 97369995

IUPAC2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CC2)CCN(c2ncccn2)C3)nc1
InChIInChI=1S/C16H20N6/c1-6-17-14(18-7-1)21-10-3-16(4-11-21)5-12-22(13-16)15-19-8-2-9-20-15/h1-2,6-9H,3-5,10-13H2
InChIKeyOPPCNYUAZNVVMG-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.76
Rot. Bonds2

About 2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane

2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane (PubChem CID 97369995) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
PubChem CID97369995
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CC2)CCN(c2ncccn2)C3)nc1
InChIInChI=1S/C16H20N6/c1-6-17-14(18-7-1)21-10-3-16(4-11-21)5-12-22(13-16)15-19-8-2-9-20-15/h1-2,6-9H,3-5,10-13H2
InChIKeyOPPCNYUAZNVVMG-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 2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane (CID 97369995) is 2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane is c1cnc(N2CCC3(CC2)CCN(c2ncccn2)C3)nc1.
What is the InChIKey of 2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane?
The InChIKey is OPPCNYUAZNVVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-6-17-14(18-7-1)21-10-3-16(4-11-21)5-12-22(13-16)15-19-8-2-9-20-15/h1-2,6-9H,3-5,10-13H2.
What are the key properties of 2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane?
2,8-di(pyrimidin-2-yl)-2,8-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 2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97369995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).