5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C18H26N4O4 — CID 72893728

IUPAC5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CN1CC2(CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)CC1=O
InChIInChI=1S/C18H26N4O4/c1-12(2)10-22-11-18(8-15(22)24)3-5-21(6-4-18)14(23)7-13-9-19-17(26)20-16(13)25/h9,12H,3-8,10-11H2,1-2H3,(H2,19,20,25,26)
InChIKeyLJQPGEPZSWBDRJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.10
Rot. Bonds4

About 5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72893728) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID72893728
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CN1CC2(CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)CC1=O
InChIInChI=1S/C18H26N4O4/c1-12(2)10-22-11-18(8-15(22)24)3-5-21(6-4-18)14(23)7-13-9-19-17(26)20-16(13)25/h9,12H,3-8,10-11H2,1-2H3,(H2,19,20,25,26)
InChIKeyLJQPGEPZSWBDRJ-UHFFFAOYSA-N
XLogP0.10
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72893728) is 5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CC(C)CN1CC2(CCN(C(=O)Cc3c[nH]c(=O)[nH]c3=O)CC2)CC1=O.
What is the InChIKey of 5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LJQPGEPZSWBDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12(2)10-22-11-18(8-15(22)24)3-5-21(6-4-18)14(23)7-13-9-19-17(26)20-16(13)25/h9,12H,3-8,10-11H2,1-2H3,(H2,19,20,25,26).
What are the key properties of 5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72893728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).