1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane

C16H26N4O3 — CID 97396285

IUPAC1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCOCC12CCN(c1cc(OC)ncn1)CC2
InChIInChI=1S/C16H26N4O3/c1-21-9-7-20-8-10-23-12-16(20)3-5-19(6-4-16)14-11-15(22-2)18-13-17-14/h11,13H,3-10,12H2,1-2H3
InChIKeyQPUUCNUIMVPOSI-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.80
Rot. Bonds5

About 1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane

1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396285) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396285
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOCCN1CCOCC12CCN(c1cc(OC)ncn1)CC2
InChIInChI=1S/C16H26N4O3/c1-21-9-7-20-8-10-23-12-16(20)3-5-19(6-4-16)14-11-15(22-2)18-13-17-14/h11,13H,3-10,12H2,1-2H3
InChIKeyQPUUCNUIMVPOSI-UHFFFAOYSA-N
XLogP0.80
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396285) is 1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane is COCCN1CCOCC12CCN(c1cc(OC)ncn1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is QPUUCNUIMVPOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-21-9-7-20-8-10-23-12-16(20)3-5-19(6-4-16)14-11-15(22-2)18-13-17-14/h11,13H,3-10,12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 322.41 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-9-(6-methoxypyrimidin-4-yl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).