2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H24N4O3 — CID 98895510

IUPAC2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1ccncn1)CC2
InChIInChI=1S/C17H24N4O3/c1-24-11-10-21-12-17(4-2-15(21)22)5-8-20(9-6-17)16(23)14-3-7-18-13-19-14/h3,7,13H,2,4-6,8-12H2,1H3
InChIKeyXSTXRVXEWHYYKF-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.97
Rot. Bonds4

About 2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 98895510) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID98895510
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCC1=O)CCN(C(=O)c1ccncn1)CC2
InChIInChI=1S/C17H24N4O3/c1-24-11-10-21-12-17(4-2-15(21)22)5-8-20(9-6-17)16(23)14-3-7-18-13-19-14/h3,7,13H,2,4-6,8-12H2,1H3
InChIKeyXSTXRVXEWHYYKF-UHFFFAOYSA-N
XLogP0.97
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 98895510) is 2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCC1=O)CCN(C(=O)c1ccncn1)CC2.
What is the InChIKey of 2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XSTXRVXEWHYYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-24-11-10-21-12-17(4-2-15(21)22)5-8-20(9-6-17)16(23)14-3-7-18-13-19-14/h3,7,13H,2,4-6,8-12H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.40 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 98895510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).