8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol

C23H34N6O2 — CID 138534564

IUPAC8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
SMILESCOCCNc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2O)cn1
InChIInChI=1S/C23H34N6O2/c1-28(2)23(18-7-5-4-6-8-18)11-9-22(10-12-23)17-29(21(30)27-22)19-15-25-20(26-16-19)24-13-14-31-3/h4-8,15-16,21,27,30H,9-14,17H2,1-3H3,(H,24,25,26)
InChIKeyYTSWCHHCAKOCBY-UHFFFAOYSA-N
MW426.57 g/mol
LogP1.99
Rot. Bonds7

About 8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol

8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol (PubChem CID 138534564) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
PubChem CID138534564
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Name8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
SMILESCOCCNc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2O)cn1
InChIInChI=1S/C23H34N6O2/c1-28(2)23(18-7-5-4-6-8-18)11-9-22(10-12-23)17-29(21(30)27-22)19-15-25-20(26-16-19)24-13-14-31-3/h4-8,15-16,21,27,30H,9-14,17H2,1-3H3,(H,24,25,26)
InChIKeyYTSWCHHCAKOCBY-UHFFFAOYSA-N
XLogP1.99
TPSA85.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(dimethylamino)-8-phenyl-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-diazaspiro[4.5]decan-2-ol
CID 138534482
3-(5-chloropyrazin-2-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
CID 135231325
8-(dimethylamino)-3-[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
CID 138534583
8-(dimethylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol
CID 138512704
methyl 5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxylate
CID 130200971
3-[8-[ethyl(methyl)amino]-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanenitrile
CID 146430046
5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxylic acid
CID 156757627
8-(dimethylamino)-8-(3-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol
CID 155214836
8-(dimethylamino)-3-[2-[(2-methyloxan-4-yl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 155183055
8-(3-chlorophenyl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-ol
CID 155214872
8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 130201435
3-(2-aminopyrimidin-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;cyclopropanecarbonyl chloride;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]cyclopropanecarboxamide
CID 160974324

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?
The IUPAC name of 8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol (CID 138534564) is 8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?
The canonical SMILES for 8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol is COCCNc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2O)cn1.
What is the InChIKey of 8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?
The InChIKey is YTSWCHHCAKOCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-28(2)23(18-7-5-4-6-8-18)11-9-22(10-12-23)17-29(21(30)27-22)19-15-25-20(26-16-19)24-13-14-31-3/h4-8,15-16,21,27,30H,9-14,17H2,1-3H3,(H,24,25,26).
What are the key properties of 8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol?
8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol has a molecular weight of 426.57 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(2-methoxyethylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-ol is sourced from PubChem (CID 138534564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).