7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C14H16N4O5 — CID 70775201

IUPAC7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCC3(CC(=O)NC3=O)C2)c1=O
InChIInChI=1S/C14H16N4O5/c1-17-11(21)8(6-15-13(17)23)4-10(20)18-3-2-14(7-18)5-9(19)16-12(14)22/h6H,2-5,7H2,1H3,(H,15,23)(H,16,19,22)
InChIKeyZVEJUROQZCUKQL-UHFFFAOYSA-N
MW320.31 g/mol
LogP-2.12
Rot. Bonds2

About 7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70775201) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is 7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70775201
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCC3(CC(=O)NC3=O)C2)c1=O
InChIInChI=1S/C14H16N4O5/c1-17-11(21)8(6-15-13(17)23)4-10(20)18-3-2-14(7-18)5-9(19)16-12(14)22/h6H,2-5,7H2,1H3,(H,15,23)(H,16,19,22)
InChIKeyZVEJUROQZCUKQL-UHFFFAOYSA-N
XLogP-2.12
TPSA121.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70775201) is 7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is Cn1c(=O)[nH]cc(CC(=O)N2CCC3(CC(=O)NC3=O)C2)c1=O.
What is the InChIKey of 7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is ZVEJUROQZCUKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-17-11(21)8(6-15-13(17)23)4-10(20)18-3-2-14(7-18)5-9(19)16-12(14)22/h6H,2-5,7H2,1H3,(H,15,23)(H,16,19,22).
What are the key properties of 7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 320.31 g/mol, XLogP of -2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70775201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).