5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

C25H32N6O — CID 130201407

IUPAC5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
SMILESCC(C)CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C25H32N6O/c1-19(2)17-31-23(32)30(21-15-27-22(14-26)28-16-21)18-24(31)10-12-25(13-11-24,29(3)4)20-8-6-5-7-9-20/h5-9,15-16,19H,10-13,17-18H2,1-4H3
InChIKeyFQWLCZRFQNEXSH-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.02
Rot. Bonds5

About 5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (PubChem CID 130201407) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
PubChem CID130201407
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
SMILESCC(C)CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1ccccc1)(N(C)C)CC2
InChIInChI=1S/C25H32N6O/c1-19(2)17-31-23(32)30(21-15-27-22(14-26)28-16-21)18-24(31)10-12-25(13-11-24,29(3)4)20-8-6-5-7-9-20/h5-9,15-16,19H,10-13,17-18H2,1-4H3
InChIKeyFQWLCZRFQNEXSH-UHFFFAOYSA-N
XLogP4.02
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201304
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
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
2-[8-(dimethylamino)-1-(3-methoxypropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
CID 130201351
N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 130200474
5-[5-(cyclopropylmethyl)-2-(dimethylamino)-6-oxo-2-phenyl-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 137407708
3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile
CID 130201241
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-methyl-6-[tris(phosphanyl)methyl]-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 170237150
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[4-(methoxymethyl)phenyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130220323
8-(dimethylamino)-8-phenyl-3-(2-phenylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 130201435

Frequently Asked Questions

What is the IUPAC name of 5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (CID 130201407) is 5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is CC(C)CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1ccccc1)(N(C)C)CC2.
What is the InChIKey of 5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?
The InChIKey is FQWLCZRFQNEXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-19(2)17-31-23(32)30(21-15-27-22(14-26)28-16-21)18-24(31)10-12-25(13-11-24,29(3)4)20-8-6-5-7-9-20/h5-9,15-16,19H,10-13,17-18H2,1-4H3.
What are the key properties of 5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?
5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile has a molecular weight of 432.57 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 130201407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).