6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one

C109H153ClN28O8 — CID 159118741

About 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one

6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one (PubChem CID 159118741) has the molecular formula C109H153ClN28O8 and a molecular weight of 2019.06 g/mol. Its IUPAC name is 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one
• PubChem CID: 159118741
• Molecular Formula: C109H153ClN28O8
• Molecular Weight: 2019.06 g/mol
• Exact Mass: 2017.21
• IUPAC Name: 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one
• SMILES: COc1ccccc1-c1c(N)nc(N2CCC3(CC[C@@H](C)[C@H]3N)CC2)n(C)c1=O.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccnc(Cl)c4)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3nc(N)c(-c4ccc(N5CCOCC5)cc4)c(=O)n3C)CC2)[C@@H]1N.Cc1cccc(-c2c(N)nc(N3CCC4(CC[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1.Cc1ncccc1-c1c(N)nc(N2CCC3(CC[C@@H](C)[C@H]3N)CC2)n(C)c1=O
• InChI: InChI=1S/C24H34N6O3.C22H31N5O2.C22H31N5O.C21H30N6O.C20H27ClN6O/c1-16-20(25)24(15-33-16)7-9-30(10-8-24)23-27-21(26)19(22(31)28(23)2)17-3-5-18(6-4-17)29-11-13-32-14-12-29;1-14-8-9-22(18(14)23)10-12-27(13-11-22)21-25-19(24)17(20(28)26(21)2)15-6-4-5-7-16(15)29-3;1-14-5-4-6-16(13-14)17-19(24)25-21(26(3)20(17)28)27-11-9-22(10-12-27)8-7-15(2)18(22)23;1-13-6-7-21(17(13)22)8-11-27(12-9-21)20-25-18(23)16(19(28)26(20)3)15-5-4-10-24-14(15)2;1-12-3-5-20(16(12)22)6-9-27(10-7-20)19-25-17(23)15(18(28)26(19)2)13-4-8-24-14(21)11-13/h3-6,16,20H,7-15,25-26H2,1-2H3;4-7,14,18H,8-13,23-24H2,1-3H3;4-6,13,15,18H,7-12,23-24H2,1-3H3;4-5,10,13,17H,6-9,11-12,22-23H2,1-3H3;4,8,11-12,16H,3,5-7,9-10,22-23H2,1-2H3/t16-,20+;14-,18-;15-,18-;13-,17-;12-,16-/m01111/s1
• InChIKey: KFKNLFZOAOIDNK-LZZOUAPOSA-N
• XLogP: 10.76
• TPSA: 507.56 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 12
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2019.06
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one?

The IUPAC name of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one (CID 159118741) is 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-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-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one?

The canonical SMILES for 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one is COc1ccccc1-c1c(N)nc(N2CCC3(CC[C@@H](C)[C@H]3N)CC2)n(C)c1=O.C[C@@H]1CCC2(CCN(c3nc(N)c(-c4ccnc(Cl)c4)c(=O)n3C)CC2)[C@@H]1N.C[C@@H]1OCC2(CCN(c3nc(N)c(-c4ccc(N5CCOCC5)cc4)c(=O)n3C)CC2)[C@@H]1N.Cc1cccc(-c2c(N)nc(N3CCC4(CC[C@@H](C)[C@H]4N)CC3)n(C)c2=O)c1.Cc1ncccc1-c1c(N)nc(N2CCC3(CC[C@@H](C)[C@H]3N)CC2)n(C)c1=O.

What is the InChIKey of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one?

The InChIKey is KFKNLFZOAOIDNK-LZZOUAPOSA-N. The full InChI is InChI=1S/C24H34N6O3.C22H31N5O2.C22H31N5O.C21H30N6O.C20H27ClN6O/c1-16-20(25)24(15-33-16)7-9-30(10-8-24)23-27-21(26)19(22(31)28(23)2)17-3-5-18(6-4-17)29-11-13-32-14-12-29;1-14-8-9-22(18(14)23)10-12-27(13-11-22)21-25-19(24)17(20(28)26(21)2)15-6-4-5-7-16(15)29-3;1-14-5-4-6-16(13-14)17-19(24)25-21(26(3)20(17)28)27-11-9-22(10-12-27)8-7-15(2)18(22)23;1-13-6-7-21(17(13)22)8-11-27(12-9-21)20-25-18(23)16(19(28)26(20)3)15-5-4-10-24-14(15)2;1-12-3-5-20(16(12)22)6-9-27(10-7-20)19-25-17(23)15(18(28)26(19)2)13-4-8-24-14(21)11-13/h3-6,16,20H,7-15,25-26H2,1-2H3;4-7,14,18H,8-13,23-24H2,1-3H3;4-6,13,15,18H,7-12,23-24H2,1-3H3;4-5,10,13,17H,6-9,11-12,22-23H2,1-3H3;4,8,11-12,16H,3,5-7,9-10,22-23H2,1-2H3/t16-,20+;14-,18-;15-,18-;13-,17-;12-,16-/m01111/s1.

What are the key properties of 6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one?

6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one has a molecular weight of 2019.06 g/mol, XLogP of 10.76, 12 rotatable bonds, 10 hydrogen bond donors, and 36 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-(2-chloro-4-pyridinyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-5-(2-methoxyphenyl)-3-methylpyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(3-methylphenyl)pyrimidin-4-one;6-amino-2-[(3R,4R)-4-amino-3-methyl-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(2-methyl-3-pyridinyl)pyrimidin-4-one;6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-(4-morpholin-4-ylphenyl)pyrimidin-4-one is sourced from PubChem (CID 159118741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).