(5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H24N4O5 — CID 97229164

IUPAC(5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCn1c(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)cc(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O5/c1-15(2)9-17(16(3,4)26-15)12(23)21(13(24)18-17)8-10-7-11(22)20(6)14(25)19(10)5/h7H,8-9H2,1-6H3,(H,18,24)/t17-/m1/s1
InChIKeyLZDUGDCUIKQOCR-QGZVFWFLSA-N
MW364.40 g/mol
LogP-0.15
Rot. Bonds2

About (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione

(5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 97229164) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID97229164
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name(5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCn1c(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)cc(=O)n(C)c1=O
InChIInChI=1S/C17H24N4O5/c1-15(2)9-17(16(3,4)26-15)12(23)21(13(24)18-17)8-10-7-11(22)20(6)14(25)19(10)5/h7H,8-9H2,1-6H3,(H,18,24)/t17-/m1/s1
InChIKeyLZDUGDCUIKQOCR-QGZVFWFLSA-N
XLogP-0.15
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 97229164) is (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is Cn1c(CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)cc(=O)n(C)c1=O.
What is the InChIKey of (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LZDUGDCUIKQOCR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-15(2)9-17(16(3,4)26-15)12(23)21(13(24)18-17)8-10-7-11(22)20(6)14(25)19(10)5/h7H,8-9H2,1-6H3,(H,18,24)/t17-/m1/s1.
What are the key properties of (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione?
(5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 364.40 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 97229164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).