1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane

C16H26N4O — CID 66332389

IUPAC1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
SMILESCCCOc1cc(N2CCNCC23CCCCC3)ncn1
InChIInChI=1S/C16H26N4O/c1-2-10-21-15-11-14(18-13-19-15)20-9-8-17-12-16(20)6-4-3-5-7-16/h11,13,17H,2-10,12H2,1H3
InChIKeyXZUPYKQJRZVTTC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.38
Rot. Bonds4

About 1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane

1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 66332389) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID66332389
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
SMILESCCCOc1cc(N2CCNCC23CCCCC3)ncn1
InChIInChI=1S/C16H26N4O/c1-2-10-21-15-11-14(18-13-19-15)20-9-8-17-12-16(20)6-4-3-5-7-16/h11,13,17H,2-10,12H2,1H3
InChIKeyXZUPYKQJRZVTTC-UHFFFAOYSA-N
XLogP2.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane (CID 66332389) is 1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane is CCCOc1cc(N2CCNCC23CCCCC3)ncn1.
What is the InChIKey of 1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is XZUPYKQJRZVTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-10-21-15-11-14(18-13-19-15)20-9-8-17-12-16(20)6-4-3-5-7-16/h11,13,17H,2-10,12H2,1H3.
What are the key properties of 1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane?
1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 66332389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).