1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane

C16H26N4O — CID 97484609

IUPAC1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane
SMILESCCN1CCCCC12CCN(c1cc(OC)ncn1)CC2
InChIInChI=1S/C16H26N4O/c1-3-20-9-5-4-6-16(20)7-10-19(11-8-16)14-12-15(21-2)18-13-17-14/h12-13H,3-11H2,1-2H3
InChIKeyIPRPGIJAJPCQNY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.33
Rot. Bonds3

About 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane

1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane (PubChem CID 97484609) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane
PubChem CID97484609
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane
SMILESCCN1CCCCC12CCN(c1cc(OC)ncn1)CC2
InChIInChI=1S/C16H26N4O/c1-3-20-9-5-4-6-16(20)7-10-19(11-8-16)14-12-15(21-2)18-13-17-14/h12-13H,3-11H2,1-2H3
InChIKeyIPRPGIJAJPCQNY-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-7-(6-methoxypyrimidin-4-yl)-7-azaspiro[3.5]nonane
CID 97451275
1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134070979
1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
CID 66318528
4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-6-methoxypyrimidine
CID 146079556
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 133323337
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 165431973
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
9-(6-methoxypyrimidin-4-yl)-4-methyl-1-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495906
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
CID 155799860

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane (CID 97484609) is 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane is CCN1CCCCC12CCN(c1cc(OC)ncn1)CC2.
What is the InChIKey of 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane?
The InChIKey is IPRPGIJAJPCQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-20-9-5-4-6-16(20)7-10-19(11-8-16)14-12-15(21-2)18-13-17-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane?
1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane has a molecular weight of 290.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97484609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).