8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

C18H26N4O3 — CID 70770720

IUPAC8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC2(CC1)CC(=O)N(C)C2
InChIInChI=1S/C18H26N4O3/c1-12-14(13(2)20-17(25)19-12)4-5-15(23)22-8-6-18(7-9-22)10-16(24)21(3)11-18/h4-11H2,1-3H3,(H,19,20,25)
InChIKeyOACYAKPQQXOAJC-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.79
Rot. Bonds3

About 8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one

8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70770720) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70770720
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC2(CC1)CC(=O)N(C)C2
InChIInChI=1S/C18H26N4O3/c1-12-14(13(2)20-17(25)19-12)4-5-15(23)22-8-6-18(7-9-22)10-16(24)21(3)11-18/h4-11H2,1-3H3,(H,19,20,25)
InChIKeyOACYAKPQQXOAJC-UHFFFAOYSA-N
XLogP0.79
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 70770720) is 8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one is Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC2(CC1)CC(=O)N(C)C2.
What is the InChIKey of 8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OACYAKPQQXOAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-14(13(2)20-17(25)19-12)4-5-15(23)22-8-6-18(7-9-22)10-16(24)21(3)11-18/h4-11H2,1-3H3,(H,19,20,25).
What are the key properties of 8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 346.43 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-2-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70770720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).