4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

C13H20N4O2 — CID 134394863

IUPAC4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOc1ccnc(N2CCOC3(CCNCC3)C2)n1
InChIInChI=1S/C13H20N4O2/c1-18-11-2-5-15-12(16-11)17-8-9-19-13(10-17)3-6-14-7-4-13/h2,5,14H,3-4,6-10H2,1H3
InChIKeyYDNOBULPRCVZDY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.44
Rot. Bonds2

About 4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 134394863) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID134394863
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCOc1ccnc(N2CCOC3(CCNCC3)C2)n1
InChIInChI=1S/C13H20N4O2/c1-18-11-2-5-15-12(16-11)17-8-9-19-13(10-17)3-6-14-7-4-13/h2,5,14H,3-4,6-10H2,1H3
InChIKeyYDNOBULPRCVZDY-UHFFFAOYSA-N
XLogP0.44
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 134394863) is 4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is COc1ccnc(N2CCOC3(CCNCC3)C2)n1.
What is the InChIKey of 4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is YDNOBULPRCVZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-18-11-2-5-15-12(16-11)17-8-9-19-13(10-17)3-6-14-7-4-13/h2,5,14H,3-4,6-10H2,1H3.
What are the key properties of 4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 264.33 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 134394863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).