8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C25H33N5O2 — CID 130210370

IUPAC8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1ncc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cn1
InChIInChI=1S/C25H33N5O2/c1-19-26-14-22(15-27-19)30-18-24(28-23(30)31)9-11-25(12-10-24,21-6-4-3-5-7-21)29(2)16-20-8-13-32-17-20/h3-7,14-15,20H,8-13,16-18H2,1-2H3,(H,28,31)
InChIKeyXVMPSVIUPRAKMF-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.49
Rot. Bonds5

About 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130210370) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130210370
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1ncc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cn1
InChIInChI=1S/C25H33N5O2/c1-19-26-14-22(15-27-19)30-18-24(28-23(30)31)9-11-25(12-10-24,21-6-4-3-5-7-21)29(2)16-20-8-13-32-17-20/h3-7,14-15,20H,8-13,16-18H2,1-2H3,(H,28,31)
InChIKeyXVMPSVIUPRAKMF-UHFFFAOYSA-N
XLogP3.49
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130210370) is 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cn1.
What is the InChIKey of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is XVMPSVIUPRAKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-19-26-14-22(15-27-19)30-18-24(28-23(30)31)9-11-25(12-10-24,21-6-4-3-5-7-21)29(2)16-20-8-13-32-17-20/h3-7,14-15,20H,8-13,16-18H2,1-2H3,(H,28,31).
What are the key properties of 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 435.57 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130210370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).