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

C48H61ClN12O4 — CID 160974324

About 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

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 (PubChem CID 160974324) has the molecular formula C48H61ClN12O4 and a molecular weight of 905.55 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160974324
• Molecular Formula: C48H61ClN12O4
• Molecular Weight: 905.55 g/mol
• Exact Mass: 904.46
• IUPAC Name: 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
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(NC(=O)C3CC3)nc1)C(=O)N2.O=C(Cl)C1CC1
• InChI: InChI=1S/C24H30N6O2.C20H26N6O.C4H5ClO/c1-29(2)24(18-6-4-3-5-7-18)12-10-23(11-13-24)16-30(22(32)28-23)19-14-25-21(26-15-19)27-20(31)17-8-9-17;1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-26(18(27)24-19)16-12-22-17(21)23-13-16;5-4(6)3-1-2-3/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,28,32)(H,25,26,27,31);3-7,12-13H,8-11,14H2,1-2H3,(H,24,27)(H2,21,22,23);3H,1-2H2
• InChIKey: SYQVSKJIQZVYOT-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 194.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	905.55
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(NC(=O)C3CC3)nc1)C(=O)N2.O=C(Cl)C1CC1.

What is the InChIKey of 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?

The InChIKey is SYQVSKJIQZVYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2.C20H26N6O.C4H5ClO/c1-29(2)24(18-6-4-3-5-7-18)12-10-23(11-13-24)16-30(22(32)28-23)19-14-25-21(26-15-19)27-20(31)17-8-9-17;1-25(2)20(15-6-4-3-5-7-15)10-8-19(9-11-20)14-26(18(27)24-19)16-12-22-17(21)23-13-16;5-4(6)3-1-2-3/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,28,32)(H,25,26,27,31);3-7,12-13H,8-11,14H2,1-2H3,(H,24,27)(H2,21,22,23);3H,1-2H2.

What are the key properties of 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?

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 has a molecular weight of 905.55 g/mol, XLogP of 6.64, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 160974324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).