5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

C104H127F2N25O6 — CID 159436503

About 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (PubChem CID 159436503) has the molecular formula C104H127F2N25O6 and a molecular weight of 1861.32 g/mol. Its IUPAC name is 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-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-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• PubChem CID: 159436503
• Molecular Formula: C104H127F2N25O6
• Molecular Weight: 1861.32 g/mol
• Exact Mass: 1860.04
• IUPAC Name: 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• SMILES: CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(=O)NCC3CCC3)nc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CC1(C#N)CCC1.CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1cccc(F)c1)(N(C)C)CC2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CCCOC
• InChI: InChI=1S/C31H41FN6O2.C27H31N7O.C24H30N6O2.C22H25FN6O/c1-36(2)31(24-10-5-11-25(32)16-24)14-12-30(13-15-31)21-37(29(40)38(30)20-23-8-4-9-23)26-18-33-27(34-19-26)28(39)35-17-22-6-3-7-22;1-32(2)27(21-7-4-3-5-8-21)13-11-26(12-14-27)20-33(22-16-30-23(15-28)31-17-22)24(35)34(26)19-25(18-29)9-6-10-25;1-26-24(19-7-4-3-5-8-19)11-9-23(10-12-24)18-29(20-16-27-21(15-25)28-17-20)22(31)30(23)13-6-14-32-2;1-27(2)22(16-5-4-6-17(23)11-16)9-7-21(8-10-22)15-29(20(30)28(21)3)18-13-25-19(12-24)26-14-18/h5,10-11,16,18-19,22-23H,3-4,6-9,12-15,17,20-21H2,1-2H3,(H,35,39);3-5,7-8,16-17H,6,9-14,19-20H2,1-2H3;3-5,7-8,16-17,26H,6,9-14,18H2,1-2H3;4-6,11,13-14H,7-10,15H2,1-3H3
• InChIKey: LRQJZWKMCDGPSQ-UHFFFAOYSA-N
• XLogP: 15.20
• TPSA: 352.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1861.32
LogP ≤ 5	15.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-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-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (CID 159436503) is 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-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-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-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-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnc(C(=O)NCC3CCC3)nc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CC1(C#N)CCC1.CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1cccc(F)c1)(N(C)C)CC2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CCCOC.

What is the InChIKey of 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The InChIKey is LRQJZWKMCDGPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41FN6O2.C27H31N7O.C24H30N6O2.C22H25FN6O/c1-36(2)31(24-10-5-11-25(32)16-24)14-12-30(13-15-31)21-37(29(40)38(30)20-23-8-4-9-23)26-18-33-27(34-19-26)28(39)35-17-22-6-3-7-22;1-32(2)27(21-7-4-3-5-8-21)13-11-26(12-14-27)20-33(22-16-30-23(15-28)31-17-22)24(35)34(26)19-25(18-29)9-6-10-25;1-26-24(19-7-4-3-5-8-19)11-9-23(10-12-24)18-29(20-16-27-21(15-25)28-17-20)22(31)30(23)13-6-14-32-2;1-27(2)22(16-5-4-6-17(23)11-16)9-7-21(8-10-22)15-29(20(30)28(21)3)18-13-25-19(12-24)26-14-18/h5,10-11,16,18-19,22-23H,3-4,6-9,12-15,17,20-21H2,1-2H3,(H,35,39);3-5,7-8,16-17H,6,9-14,19-20H2,1-2H3;3-5,7-8,16-17,26H,6,9-14,18H2,1-2H3;4-6,11,13-14H,7-10,15H2,1-3H3.

What are the key properties of 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile has a molecular weight of 1861.32 g/mol, XLogP of 15.20, 23 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(1-cyanocyclobutyl)methyl]-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;N-(cyclobutylmethyl)-5-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;5-[8-(dimethylamino)-8-(3-fluorophenyl)-1-methyl-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;5-[1-(3-methoxypropyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 159436503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).