2-pyrimidin-5-yl-5-azaspiro[2.3]hexane

C9H11N3 — CID 11499266

IUPAC2-pyrimidin-5-yl-5-azaspiro[2.3]hexane
SMILESc1ncc(C2CC23CNC3)cn1
InChIInChI=1S/C9H11N3/c1-8(9(1)4-12-5-9)7-2-10-6-11-3-7/h2-3,6,8,12H,1,4-5H2
InChIKeyVVDSPDYQNQLVPF-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.55
Rot. Bonds1

About 2-pyrimidin-5-yl-5-azaspiro[2.3]hexane

2-pyrimidin-5-yl-5-azaspiro[2.3]hexane (PubChem CID 11499266) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name2-pyrimidin-5-yl-5-azaspiro[2.3]hexane
PubChem CID11499266
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-pyrimidin-5-yl-5-azaspiro[2.3]hexane
SMILESc1ncc(C2CC23CNC3)cn1
InChIInChI=1S/C9H11N3/c1-8(9(1)4-12-5-9)7-2-10-6-11-3-7/h2-3,6,8,12H,1,4-5H2
InChIKeyVVDSPDYQNQLVPF-UHFFFAOYSA-N
XLogP0.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-5-azaspiro[2.3]hexane?
The IUPAC name of 2-pyrimidin-5-yl-5-azaspiro[2.3]hexane (CID 11499266) is 2-pyrimidin-5-yl-5-azaspiro[2.3]hexane.
What is the SMILES notation for 2-pyrimidin-5-yl-5-azaspiro[2.3]hexane?
The canonical SMILES for 2-pyrimidin-5-yl-5-azaspiro[2.3]hexane is c1ncc(C2CC23CNC3)cn1.
What is the InChIKey of 2-pyrimidin-5-yl-5-azaspiro[2.3]hexane?
The InChIKey is VVDSPDYQNQLVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-8(9(1)4-12-5-9)7-2-10-6-11-3-7/h2-3,6,8,12H,1,4-5H2.
What are the key properties of 2-pyrimidin-5-yl-5-azaspiro[2.3]hexane?
2-pyrimidin-5-yl-5-azaspiro[2.3]hexane has a molecular weight of 161.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-5-azaspiro[2.3]hexane is sourced from PubChem (CID 11499266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).