2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H26N4O4 — CID 70751856

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3nc(OC)cc(OC)n3)C2)C1=O
InChIInChI=1S/C17H26N4O4/c1-23-10-9-20-7-4-5-17(15(20)22)6-8-21(12-17)16-18-13(24-2)11-14(19-16)25-3/h11H,4-10,12H2,1-3H3
InChIKeyPZZBXMQTPHLZTH-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.96
Rot. Bonds6

About 2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 70751856) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID70751856
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3nc(OC)cc(OC)n3)C2)C1=O
InChIInChI=1S/C17H26N4O4/c1-23-10-9-20-7-4-5-17(15(20)22)6-8-21(12-17)16-18-13(24-2)11-14(19-16)25-3/h11H,4-10,12H2,1-3H3
InChIKeyPZZBXMQTPHLZTH-UHFFFAOYSA-N
XLogP0.96
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 70751856) is 2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(c3nc(OC)cc(OC)n3)C2)C1=O.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PZZBXMQTPHLZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-23-10-9-20-7-4-5-17(15(20)22)6-8-21(12-17)16-18-13(24-2)11-14(19-16)25-3/h11H,4-10,12H2,1-3H3.
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 350.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 70751856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).