4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H24N4O3 — CID 131683776

IUPAC4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(C)C(=O)COC12CCN(C(=O)CCc1cncnc1)CC2
InChIInChI=1S/C17H24N4O3/c1-13-17(24-11-16(23)20(13)2)5-7-21(8-6-17)15(22)4-3-14-9-18-12-19-10-14/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyMLSRLMDRLQVGLB-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.65
Rot. Bonds3

About 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131683776) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID131683776
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(C)C(=O)COC12CCN(C(=O)CCc1cncnc1)CC2
InChIInChI=1S/C17H24N4O3/c1-13-17(24-11-16(23)20(13)2)5-7-21(8-6-17)15(22)4-3-14-9-18-12-19-10-14/h9-10,12-13H,3-8,11H2,1-2H3
InChIKeyMLSRLMDRLQVGLB-UHFFFAOYSA-N
XLogP0.65
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

US11077113, Example 6
CID 162533416
2-(2-Methoxyethyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769782
2-Methyl-1-[4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
CID 118739023
9-(5-Ethyl-2-methylpyrimidin-4-yl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70722334
9-{[2-(Dimethylamino)pyrimidin-5-YL]methyl}-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765931
[(3S)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95463750
(4S)-1-[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-4-morpholin-4-ylpentan-1-one
CID 100067985
1-[(2R)-2-tert-butylmorpholin-4-yl]-3-pyrimidin-5-ylpropan-1-one
CID 125143776
1-[4-(5-Fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97372304
1-[(4aS,8aS)-4-(2-methoxyethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-3-pyrimidin-5-ylpropan-1-one;2,2,2-trifluoroacetic acid
CID 155869674
2-(4,4-Difluoropiperidine-1-carbonyl)-4-(5-ethylpyrimidin-2-yl)morpholine
CID 163347960
[5-[3-Oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]pyrimidin-2-yl] carbamate
CID 21102009

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 131683776) is 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(C)C(=O)COC12CCN(C(=O)CCc1cncnc1)CC2.
What is the InChIKey of 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MLSRLMDRLQVGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-17(24-11-16(23)20(13)2)5-7-21(8-6-17)15(22)4-3-14-9-18-12-19-10-14/h9-10,12-13H,3-8,11H2,1-2H3.
What are the key properties of 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 332.40 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-9-(3-pyrimidin-5-ylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131683776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).