2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C18H26N4O — CID 56870839

IUPAC2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(C2CCC2)nc(N2CCC3(CCCN(C)C3=O)C2)n1
InChIInChI=1S/C18H26N4O/c1-13-11-15(14-5-3-6-14)20-17(19-13)22-10-8-18(12-22)7-4-9-21(2)16(18)23/h11,14H,3-10,12H2,1-2H3
InChIKeySERFBRDGHQPKGI-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.50
Rot. Bonds2

About 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56870839) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56870839
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(C2CCC2)nc(N2CCC3(CCCN(C)C3=O)C2)n1
InChIInChI=1S/C18H26N4O/c1-13-11-15(14-5-3-6-14)20-17(19-13)22-10-8-18(12-22)7-4-9-21(2)16(18)23/h11,14H,3-10,12H2,1-2H3
InChIKeySERFBRDGHQPKGI-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 56870839) is 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(C2CCC2)nc(N2CCC3(CCCN(C)C3=O)C2)n1.
What is the InChIKey of 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is SERFBRDGHQPKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-11-15(14-5-3-6-14)20-17(19-13)22-10-8-18(12-22)7-4-9-21(2)16(18)23/h11,14H,3-10,12H2,1-2H3.
What are the key properties of 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 314.43 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56870839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).