6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one

C87H115Cl5N20O6 — CID 157486790

About 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one

6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one (PubChem CID 157486790) has the molecular formula C87H115Cl5N20O6 and a molecular weight of 1714.28 g/mol. Its IUPAC name is 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one.

Molecular Properties

• Compound Name: 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one
• PubChem CID: 157486790
• Molecular Formula: C87H115Cl5N20O6
• Molecular Weight: 1714.28 g/mol
• Exact Mass: 1710.78
• IUPAC Name: 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one
• SMILES: C[C@@H]1CCC2(CCN(c3nc(N)c(-c4cc(Cl)cc(Cl)c4)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4cc(Cl)cc(Cl)c4Cl)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(C5CCOCC5)cc4)c(=O)n3C)CC2)[C@@H]1N.Cn1c(N2CCC3(CC2)COC[C@H]3N)nc(N)c(-c2ccccc2)c1=O
• InChI: InChI=1S/C26H37N5O2.C21H26Cl3N5O.C21H27Cl2N5O.C19H25N5O2/c1-17-7-10-26(22(17)27)11-13-31(14-12-26)25-29-23(28)21(24(32)30(25)2)20-5-3-18(4-6-20)19-8-15-33-16-9-19;1-11-3-4-21(17(11)25)5-7-29(8-6-21)20-27-18(26)15(19(30)28(20)2)13-9-12(22)10-14(23)16(13)24;1-12-3-4-21(17(12)24)5-7-28(8-6-21)20-26-18(25)16(19(29)27(20)2)13-9-14(22)11-15(23)10-13;1-23-17(25)15(13-5-3-2-4-6-13)16(21)22-18(23)24-9-7-19(8-10-24)12-26-11-14(19)20/h3-6,17,19,22H,7-16,27-28H2,1-2H3;9-11,17H,3-8,25-26H2,1-2H3;9-12,17H,3-8,24-25H2,1-2H3;2-6,14H,7-12,20-21H2,1H3/t17-,22-;11-,17-;12-,17-;14-/m1111/s1
• InChIKey: BWUSGVGXUQDKBE-ODOJGGOWSA-N
• XLogP: 12.25
• TPSA: 379.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 9
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1714.28
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one?

The IUPAC name of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one (CID 157486790) is 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one.

What is the SMILES notation for 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one?

The canonical SMILES for 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one is C[C@@H]1CCC2(CCN(c3nc(N)c(-c4cc(Cl)cc(Cl)c4)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4cc(Cl)cc(Cl)c4Cl)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccc(C5CCOCC5)cc4)c(=O)n3C)CC2)[C@@H]1N.Cn1c(N2CCC3(CC2)COC[C@H]3N)nc(N)c(-c2ccccc2)c1=O.

What is the InChIKey of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one?

The InChIKey is BWUSGVGXUQDKBE-ODOJGGOWSA-N. The full InChI is InChI=1S/C26H37N5O2.C21H26Cl3N5O.C21H27Cl2N5O.C19H25N5O2/c1-17-7-10-26(22(17)27)11-13-31(14-12-26)25-29-23(28)21(24(32)30(25)2)20-5-3-18(4-6-20)19-8-15-33-16-9-19;1-11-3-4-21(17(11)25)5-7-29(8-6-21)20-27-18(26)15(19(30)28(20)2)13-9-12(22)10-14(23)16(13)24;1-12-3-4-21(17(12)24)5-7-28(8-6-21)20-26-18(25)16(19(29)27(20)2)13-9-14(22)11-15(23)10-13;1-23-17(25)15(13-5-3-2-4-6-13)16(21)22-18(23)24-9-7-19(8-10-24)12-26-11-14(19)20/h3-6,17,19,22H,7-16,27-28H2,1-2H3;9-11,17H,3-8,25-26H2,1-2H3;9-12,17H,3-8,24-25H2,1-2H3;2-6,14H,7-12,20-21H2,1H3/t17-,22-;11-,17-;12-,17-;14-/m1111/s1.

What are the key properties of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one?

6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one has a molecular weight of 1714.28 g/mol, XLogP of 12.25, 9 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(3,5-dichlorophenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[4-(oxan-4-yl)phenyl]pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2,3,5-trichlorophenyl)pyrimidin-4-one;6-amino-2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-phenylpyrimidin-4-one is sourced from PubChem (CID 157486790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).