2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C18H26N4O3 — CID 72921933

IUPAC2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC2(CCCN(C)C2=O)C1
InChIInChI=1S/C18H26N4O3/c1-12-14(13(2)20-17(25)19-12)5-6-15(23)22-10-8-18(11-22)7-4-9-21(3)16(18)24/h4-11H2,1-3H3,(H,19,20,25)
InChIKeyBJDDNLFOYJEQIJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.79
Rot. Bonds3

About 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72921933) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72921933
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC2(CCCN(C)C2=O)C1
InChIInChI=1S/C18H26N4O3/c1-12-14(13(2)20-17(25)19-12)5-6-15(23)22-10-8-18(11-22)7-4-9-21(3)16(18)24/h4-11H2,1-3H3,(H,19,20,25)
InChIKeyBJDDNLFOYJEQIJ-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 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 72921933) is 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CCC2(CCCN(C)C2=O)C1.
What is the InChIKey of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BJDDNLFOYJEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-12-14(13(2)20-17(25)19-12)5-6-15(23)22-10-8-18(11-22)7-4-9-21(3)16(18)24/h4-11H2,1-3H3,(H,19,20,25).
What are the key properties of 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-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 2-[3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72921933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).