9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C15H20N4O4 — CID 97372525

IUPAC9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOCC(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2
InChIInChI=1S/C15H20N4O4/c1-22-8-13(20)18-4-2-15(3-5-18)10-19(14(21)9-23-15)12-6-16-11-17-7-12/h6-7,11H,2-5,8-10H2,1H3
InChIKeyUDIAVDRORICBRW-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.15
Rot. Bonds3

About 9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97372525) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97372525
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOCC(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2
InChIInChI=1S/C15H20N4O4/c1-22-8-13(20)18-4-2-15(3-5-18)10-19(14(21)9-23-15)12-6-16-11-17-7-12/h6-7,11H,2-5,8-10H2,1H3
InChIKeyUDIAVDRORICBRW-UHFFFAOYSA-N
XLogP-0.15
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97372525) is 9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COCC(=O)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2.
What is the InChIKey of 9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UDIAVDRORICBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-22-8-13(20)18-4-2-15(3-5-18)10-19(14(21)9-23-15)12-6-16-11-17-7-12/h6-7,11H,2-5,8-10H2,1H3.
What are the key properties of 9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 320.35 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyacetyl)-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97372525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).