1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H24N4O — CID 118738925

IUPAC1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cnc(N2CCC3(CC2)C(c2ccccc2)CC(=O)N3C)nc1
InChIInChI=1S/C20H24N4O/c1-15-13-21-19(22-14-15)24-10-8-20(9-11-24)17(12-18(25)23(20)2)16-6-4-3-5-7-16/h3-7,13-14,17H,8-12H2,1-2H3
InChIKeyWNMYLCAHHSWMAK-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.77
Rot. Bonds2

About 1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118738925) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118738925
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cnc(N2CCC3(CC2)C(c2ccccc2)CC(=O)N3C)nc1
InChIInChI=1S/C20H24N4O/c1-15-13-21-19(22-14-15)24-10-8-20(9-11-24)17(12-18(25)23(20)2)16-6-4-3-5-7-16/h3-7,13-14,17H,8-12H2,1-2H3
InChIKeyWNMYLCAHHSWMAK-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 118738925) is 1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1cnc(N2CCC3(CC2)C(c2ccccc2)CC(=O)N3C)nc1.
What is the InChIKey of 1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WNMYLCAHHSWMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-13-21-19(22-14-15)24-10-8-20(9-11-24)17(12-18(25)23(20)2)16-6-4-3-5-7-16/h3-7,13-14,17H,8-12H2,1-2H3.
What are the key properties of 1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 336.44 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118738925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).