1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione

C18H26N4O4 — CID 72846383

IUPAC1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione
SMILESCC(C)N1CC2(CCC1=O)CCN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2
InChIInChI=1S/C18H26N4O4/c1-13(2)22-12-18(5-3-15(22)24)6-9-20(10-7-18)16(25)11-21-8-4-14(23)19-17(21)26/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,19,23,26)
InChIKeyKDUBXTWZIZWTQH-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.18
Rot. Bonds3

About 1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione

1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 72846383) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione
PubChem CID72846383
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione
SMILESCC(C)N1CC2(CCC1=O)CCN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2
InChIInChI=1S/C18H26N4O4/c1-13(2)22-12-18(5-3-15(22)24)6-9-20(10-7-18)16(25)11-21-8-4-14(23)19-17(21)26/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,19,23,26)
InChIKeyKDUBXTWZIZWTQH-UHFFFAOYSA-N
XLogP0.18
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione (CID 72846383) is 1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione is CC(C)N1CC2(CCC1=O)CCN(C(=O)Cn1ccc(=O)[nH]c1=O)CC2.
What is the InChIKey of 1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is KDUBXTWZIZWTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-13(2)22-12-18(5-3-15(22)24)6-9-20(10-7-18)16(25)11-21-8-4-14(23)19-17(21)26/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,19,23,26).
What are the key properties of 1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione?
1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3-oxo-2-propan-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72846383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).