8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C26H35N5O2 — CID 130201304

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3(O)CCC3)C2=O)cn1
InChIInChI=1S/C26H35N5O2/c1-20-27-16-22(17-28-20)30-18-24(31(23(30)32)19-25(33)10-7-11-25)12-14-26(15-13-24,29(2)3)21-8-5-4-6-9-21/h4-6,8-9,16-17,33H,7,10-15,18-19H2,1-3H3
InChIKeyDPHFHACSUSFCIT-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.71
Rot. Bonds5

About 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201304) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201304
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3(O)CCC3)C2=O)cn1
InChIInChI=1S/C26H35N5O2/c1-20-27-16-22(17-28-20)30-18-24(31(23(30)32)19-25(33)10-7-11-25)12-14-26(15-13-24,29(2)3)21-8-5-4-6-9-21/h4-6,8-9,16-17,33H,7,10-15,18-19H2,1-3H3
InChIKeyDPHFHACSUSFCIT-UHFFFAOYSA-N
XLogP3.71
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201202
5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 130201407
5-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 130201093
8-(dimethylamino)-8-phenyl-1-propyl-3-pyrimidin-5-yl-1,3-diazaspiro[4.5]decan-2-one
CID 130201567
5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
CID 130201248
N-[1-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]acetamide
CID 130202936
2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfanylethyl)acetamide
CID 130249204
8-(dimethylamino)-3-[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;8-(ethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 160938008
5-[1-[(1-hydroxycyclobutyl)methyl]-8-methyl-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1-methoxycyclobutyl)methyl]pyridine-2-carboxamide
CID 170237031
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(5-methoxypyrimidin-2-yl)-8-(6-methylcyclohexa-1,3-dien-1-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 155198406
5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanamide
CID 157453340
2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
CID 130201351

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201304) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3(O)CCC3)C2=O)cn1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is DPHFHACSUSFCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-20-27-16-22(17-28-20)30-18-24(31(23(30)32)19-25(33)10-7-11-25)12-14-26(15-13-24,29(2)3)21-8-5-4-6-9-21/h4-6,8-9,16-17,33H,7,10-15,18-19H2,1-3H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 449.60 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).