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

C27H36N6O3 — CID 130200820

IUPAC2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-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)N2CC1(O)CCC1
InChIInChI=1S/C27H36N6O3/c1-31(2)27(21-7-4-3-5-8-21)13-11-25(12-14-27)18-32(17-23(34)30-22-15-28-20-29-16-22)24(35)33(25)19-26(36)9-6-10-26/h3-5,7-8,15-16,20,36H,6,9-14,17-19H2,1-2H3,(H,30,34)
InChIKeyOKPVWRPYZFAWKV-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.84
Rot. Bonds7

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

2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide (PubChem CID 130200820) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide
PubChem CID130200820
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC Name2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-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)N2CC1(O)CCC1
InChIInChI=1S/C27H36N6O3/c1-31(2)27(21-7-4-3-5-8-21)13-11-25(12-14-27)18-32(17-23(34)30-22-15-28-20-29-16-22)24(35)33(25)19-26(36)9-6-10-26/h3-5,7-8,15-16,20,36H,6,9-14,17-19H2,1-2H3,(H,30,34)
InChIKeyOKPVWRPYZFAWKV-UHFFFAOYSA-N
XLogP2.84
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide?
The IUPAC name of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide (CID 130200820) is 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide?
The canonical SMILES for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-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)N2CC1(O)CCC1.
What is the InChIKey of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide?
The InChIKey is OKPVWRPYZFAWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-31(2)27(21-7-4-3-5-8-21)13-11-25(12-14-27)18-32(17-23(34)30-22-15-28-20-29-16-22)24(35)33(25)19-26(36)9-6-10-26/h3-5,7-8,15-16,20,36H,6,9-14,17-19H2,1-2H3,(H,30,34).
What are the key properties of 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide?
2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide has a molecular weight of 492.62 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-pyrimidin-5-ylacetamide is sourced from PubChem (CID 130200820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).