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

C15H24N4O2 — CID 134394880

IUPAC4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)Oc1ccnc(N2CCOC3(CCNCC3)C2)n1
InChIInChI=1S/C15H24N4O2/c1-12(2)21-13-3-6-17-14(18-13)19-9-10-20-15(11-19)4-7-16-8-5-15/h3,6,12,16H,4-5,7-11H2,1-2H3
InChIKeyTZGOGYRITNLLLF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.22
Rot. Bonds3

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

4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 134394880) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID134394880
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)Oc1ccnc(N2CCOC3(CCNCC3)C2)n1
InChIInChI=1S/C15H24N4O2/c1-12(2)21-13-3-6-17-14(18-13)19-9-10-20-15(11-19)4-7-16-8-5-15/h3,6,12,16H,4-5,7-11H2,1-2H3
InChIKeyTZGOGYRITNLLLF-UHFFFAOYSA-N
XLogP1.22
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 134394880) is 4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)Oc1ccnc(N2CCOC3(CCNCC3)C2)n1.
What is the InChIKey of 4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is TZGOGYRITNLLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(2)21-13-3-6-17-14(18-13)19-9-10-20-15(11-19)4-7-16-8-5-15/h3,6,12,16H,4-5,7-11H2,1-2H3.
What are the key properties of 4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 292.38 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxypyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 134394880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).