2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide

C27H36N6O2 — CID 130200817

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1cncnc1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H36N6O2/c1-31(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-32(25(35)33(26)17-21-7-6-8-21)18-24(34)30-23-15-28-20-29-16-23/h3-5,9-10,15-16,20-21H,6-8,11-14,17-19H2,1-2H3,(H,30,34)
InChIKeyLWXDLZCZXWHSLX-UHFFFAOYSA-N
MW476.63 g/mol
LogP3.72
Rot. Bonds7

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide (PubChem CID 130200817) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide
PubChem CID130200817
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1cncnc1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H36N6O2/c1-31(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-32(25(35)33(26)17-21-7-6-8-21)18-24(34)30-23-15-28-20-29-16-23/h3-5,9-10,15-16,20-21H,6-8,11-14,17-19H2,1-2H3,(H,30,34)
InChIKeyLWXDLZCZXWHSLX-UHFFFAOYSA-N
XLogP3.72
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide 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 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide (CID 130200817) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1cncnc1)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide?
The InChIKey is LWXDLZCZXWHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-31(2)27(22-9-4-3-5-10-22)13-11-26(12-14-27)19-32(25(35)33(26)17-21-7-6-8-21)18-24(34)30-23-15-28-20-29-16-23/h3-5,9-10,15-16,20-21H,6-8,11-14,17-19H2,1-2H3,(H,30,34).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide has a molecular weight of 476.63 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 130200817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).