8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C26H36N6O2 — CID 130201516

IUPAC8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1)C1CCOCC1
InChIInChI=1S/C26H36N6O2/c1-30(2)26(20-7-5-4-6-8-20)13-11-25(12-14-26)19-32(24(33)29-25)22-17-27-23(28-18-22)31(3)21-9-15-34-16-10-21/h4-8,17-18,21H,9-16,19H2,1-3H3,(H,29,33)
InChIKeyZGGAMTPEBRPLNB-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.39
Rot. Bonds5

About 8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201516) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201516
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1)C1CCOCC1
InChIInChI=1S/C26H36N6O2/c1-30(2)26(20-7-5-4-6-8-20)13-11-25(12-14-26)19-32(24(33)29-25)22-17-27-23(28-18-22)31(3)21-9-15-34-16-10-21/h4-8,17-18,21H,9-16,19H2,1-3H3,(H,29,33)
InChIKeyZGGAMTPEBRPLNB-UHFFFAOYSA-N
XLogP3.39
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201516) is 8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1)C1CCOCC1.
What is the InChIKey of 8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZGGAMTPEBRPLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-30(2)26(20-7-5-4-6-8-20)13-11-25(12-14-26)19-32(24(33)29-25)22-17-27-23(28-18-22)31(3)21-9-15-34-16-10-21/h4-8,17-18,21H,9-16,19H2,1-3H3,(H,29,33).
What are the key properties of 8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 464.61 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-[methyl(oxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).