2-pyrimidin-5-yl-4-azaspiro[2.4]heptane

C10H13N3 — CID 68652937

IUPAC2-pyrimidin-5-yl-4-azaspiro[2.4]heptane
SMILESc1ncc(C2CC23CCCN3)cn1
InChIInChI=1S/C10H13N3/c1-2-10(13-3-1)4-9(10)8-5-11-7-12-6-8/h5-7,9,13H,1-4H2
InChIKeyIIQBLRBINXMLJU-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.09
Rot. Bonds1

About 2-pyrimidin-5-yl-4-azaspiro[2.4]heptane

2-pyrimidin-5-yl-4-azaspiro[2.4]heptane (PubChem CID 68652937) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-4-azaspiro[2.4]heptane.

Molecular Properties

Compound Name2-pyrimidin-5-yl-4-azaspiro[2.4]heptane
PubChem CID68652937
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-pyrimidin-5-yl-4-azaspiro[2.4]heptane
SMILESc1ncc(C2CC23CCCN3)cn1
InChIInChI=1S/C10H13N3/c1-2-10(13-3-1)4-9(10)8-5-11-7-12-6-8/h5-7,9,13H,1-4H2
InChIKeyIIQBLRBINXMLJU-UHFFFAOYSA-N
XLogP1.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-tert-butylpyrrolidin-2-yl)pyrimidine
CID 66466514
2-pyrimidin-5-yl-5-azaspiro[2.3]hexane
CID 11499266
5-(2-ethylpyrrolidin-2-yl)pyrimidine
CID 66466456
5-pyrrolidin-3-ylpyrimidine
CID 66996535
(2-methylpyrrolidin-2-yl)-pyrimidin-5-ylmethanone
CID 116580427
(5S,6S)-6-phenyl-1-azaspiro[4.5]decane
CID 97356341
6-phenyl-1,9-diazaspiro[4.5]decane
CID 91595107
(5R)-1-azaspiro[4.4]nonan-9-ol
CID 171034901
(2R)-2-methyl-4-azaspiro[2.6]nonane
CID 118287952
2-(5-phenoxy-3-pyridinyl)-5-azaspiro[3.4]octane
CID 11623305
(5S,6R)-6-propan-2-yl-1-azaspiro[4.5]decane
CID 121382404
2-(4-azaspiro[2.4]heptan-2-yl)ethanol
CID 90022762

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-4-azaspiro[2.4]heptane?
The IUPAC name of 2-pyrimidin-5-yl-4-azaspiro[2.4]heptane (CID 68652937) is 2-pyrimidin-5-yl-4-azaspiro[2.4]heptane.
What is the SMILES notation for 2-pyrimidin-5-yl-4-azaspiro[2.4]heptane?
The canonical SMILES for 2-pyrimidin-5-yl-4-azaspiro[2.4]heptane is c1ncc(C2CC23CCCN3)cn1.
What is the InChIKey of 2-pyrimidin-5-yl-4-azaspiro[2.4]heptane?
The InChIKey is IIQBLRBINXMLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-10(13-3-1)4-9(10)8-5-11-7-12-6-8/h5-7,9,13H,1-4H2.
What are the key properties of 2-pyrimidin-5-yl-4-azaspiro[2.4]heptane?
2-pyrimidin-5-yl-4-azaspiro[2.4]heptane has a molecular weight of 175.24 g/mol, XLogP of 1.09, 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-4-azaspiro[2.4]heptane is sourced from PubChem (CID 68652937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).