7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

C13H20N4O — CID 97472500

IUPAC7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESCOCCN1CCC2(C1)CN(c1ncccn1)C2
InChIInChI=1S/C13H20N4O/c1-18-8-7-16-6-3-13(9-16)10-17(11-13)12-14-4-2-5-15-12/h2,4-5H,3,6-11H2,1H3
InChIKeyHVVGWOAIHARJLE-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.64
Rot. Bonds4

About 7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane

7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (PubChem CID 97472500) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
PubChem CID97472500
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
SMILESCOCCN1CCC2(C1)CN(c1ncccn1)C2
InChIInChI=1S/C13H20N4O/c1-18-8-7-16-6-3-13(9-16)10-17(11-13)12-14-4-2-5-15-12/h2,4-5H,3,6-11H2,1H3
InChIKeyHVVGWOAIHARJLE-UHFFFAOYSA-N
XLogP0.64
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Pyrrolidin-1-yl-ethoxy)-pyrimidine
CID 44325591
2-[3-(2-Piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 75432350
7-(2-Methylpropyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97392888
1-(2-Methoxyethyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97409279
2-(5-Fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane
CID 97472501
1-(2-Methoxyethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 118738977
1-(2-Methoxyethyl)-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 118742715
N,N-dimethyl-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 118744055
2-(Oxolan-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 118745288
2-(2-Methoxyethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 118745406
10-(Cyclopropylmethyl)-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746975
6-Pyrimidin-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 134862450

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane (CID 97472500) is 7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is COCCN1CCC2(C1)CN(c1ncccn1)C2.
What is the InChIKey of 7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
The InChIKey is HVVGWOAIHARJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-18-8-7-16-6-3-13(9-16)10-17(11-13)12-14-4-2-5-15-12/h2,4-5H,3,6-11H2,1H3.
What are the key properties of 7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane?
7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane has a molecular weight of 248.33 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).