5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

C28H33N7O — CID 130201248

About 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (PubChem CID 130201248) has the molecular formula C28H33N7O and a molecular weight of 483.62 g/mol. Its IUPAC name is 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• PubChem CID: 130201248
• Molecular Formula: C28H33N7O
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.27
• IUPAC Name: 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• SMILES: CCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CC1(C#N)CCC1
• InChI: InChI=1S/C28H33N7O/c1-3-33(2)28(22-8-5-4-6-9-22)14-12-27(13-15-28)21-34(23-17-31-24(16-29)32-18-23)25(36)35(27)20-26(19-30)10-7-11-26/h4-6,8-9,17-18H,3,7,10-15,20-21H2,1-2H3
• InChIKey: ZWEJVYVIJQBXPD-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 100.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The IUPAC name of 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) is 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

What is the SMILES notation for 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The canonical SMILES for 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is CCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CC1(C#N)CCC1.

What is the InChIKey of 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The InChIKey is ZWEJVYVIJQBXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O/c1-3-33(2)28(22-8-5-4-6-9-22)14-12-27(13-15-28)21-34(23-17-31-24(16-29)32-18-23)25(36)35(27)20-26(19-30)10-7-11-26/h4-6,8-9,17-18H,3,7,10-15,20-21H2,1-2H3.

What are the key properties of 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile has a molecular weight of 483.62 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(1-cyanocyclobutyl)methyl]-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 130201248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).