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

C26H36N8O — CID 155198567

IUPAC8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCC(C)C1=CN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)NN1C
InChIInChI=1S/C26H36N8O/c1-19(2)22-17-34(30-32(22)5)23-27-15-21(16-28-23)33-18-25(29-24(33)35)11-13-26(14-12-25,31(3)4)20-9-7-6-8-10-20/h6-10,15-17,19,30H,11-14,18H2,1-5H3,(H,29,35)
InChIKeyICMTZRAPVSYXDA-UHFFFAOYSA-N
MW476.63 g/mol
LogP3.44
Rot. Bonds5

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

8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 155198567) has the molecular formula C26H36N8O and a molecular weight of 476.63 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID155198567
Molecular FormulaC26H36N8O
Molecular Weight476.63 g/mol
Exact Mass476.30
IUPAC Name8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCC(C)C1=CN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)NN1C
InChIInChI=1S/C26H36N8O/c1-19(2)22-17-34(30-32(22)5)23-27-15-21(16-28-23)33-18-25(29-24(33)35)11-13-26(14-12-25,31(3)4)20-9-7-6-8-10-20/h6-10,15-17,19,30H,11-14,18H2,1-5H3,(H,29,35)
InChIKeyICMTZRAPVSYXDA-UHFFFAOYSA-N
XLogP3.44
TPSA79.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 155198567) is 8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CC(C)C1=CN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)NN1C.
What is the InChIKey of 8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ICMTZRAPVSYXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N8O/c1-19(2)22-17-34(30-32(22)5)23-27-15-21(16-28-23)33-18-25(29-24(33)35)11-13-26(14-12-25,31(3)4)20-9-7-6-8-10-20/h6-10,15-17,19,30H,11-14,18H2,1-5H3,(H,29,35).
What are the key properties of 8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 476.63 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(3-methyl-4-propan-2-yl-2H-triazol-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 155198567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).