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

C18H28N4O2 — CID 50969823

IUPAC4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCC(=O)N2CCC3(CCN(C)CC3)C2)c(=O)n1
InChIInChI=1S/C18H28N4O2/c1-14-12-15(2)22(17(24)19-14)8-4-16(23)21-11-7-18(13-21)5-9-20(3)10-6-18/h12H,4-11,13H2,1-3H3
InChIKeyVRMGSPQYNVSTOC-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.19
Rot. Bonds3

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

4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one (PubChem CID 50969823) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one
PubChem CID50969823
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one
SMILESCc1cc(C)n(CCC(=O)N2CCC3(CCN(C)CC3)C2)c(=O)n1
InChIInChI=1S/C18H28N4O2/c1-14-12-15(2)22(17(24)19-14)8-4-16(23)21-11-7-18(13-21)5-9-20(3)10-6-18/h12H,4-11,13H2,1-3H3
InChIKeyVRMGSPQYNVSTOC-UHFFFAOYSA-N
XLogP1.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one (CID 50969823) is 4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one is Cc1cc(C)n(CCC(=O)N2CCC3(CCN(C)CC3)C2)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one?
The InChIKey is VRMGSPQYNVSTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-12-15(2)22(17(24)19-14)8-4-16(23)21-11-7-18(13-21)5-9-20(3)10-6-18/h12H,4-11,13H2,1-3H3.
What are the key properties of 4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one?
4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[3-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidin-2-one is sourced from PubChem (CID 50969823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).