N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide

C124H158ClN25O15 — CID 158212985

About N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide

N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide (PubChem CID 158212985) has the molecular formula C124H158ClN25O15 and a molecular weight of 2274.24 g/mol. Its IUPAC name is N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide
• PubChem CID: 158212985
• Molecular Formula: C124H158ClN25O15
• Molecular Weight: 2274.24 g/mol
• Exact Mass: 2272.21
• IUPAC Name: N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide
• SMILES: Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc(C3CCC(CC(=O)O)CC3)cc1)=N2.Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc(C3CCC(CCc4nc(=O)on4C)CC3)cc1)=N2.Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc(C3CCC(CNC(=O)C(C)(C)CO)CC3)cc1)=N2.Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc(C3CCC(CNC(=O)CO)CC3)c(Cl)c1)=N2.Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc(C3CCC(CNC(=O)CO)CC3)cc1)=N2
• InChI: InChI=1S/C27H37N5O3.C26H32N6O3.C24H30ClN5O3.C24H31N5O3.C23H28N4O3/c1-16-30-23(28)21-24(31-16)35-27(4,5)22(32-21)20-12-10-19(11-13-20)18-8-6-17(7-9-18)14-29-25(34)26(2,3)15-33;1-15-28-23(27)21-24(29-15)34-26(2,3)22(31-21)19-12-10-18(11-13-19)17-8-5-16(6-9-17)7-14-20-30-25(33)35-32(20)4;1-13-28-22(26)20-23(29-13)33-24(2,3)21(30-20)16-8-9-17(18(25)10-16)15-6-4-14(5-7-15)11-27-19(32)12-31;1-14-27-22(25)20-23(28-14)32-24(2,3)21(29-20)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-26-19(31)13-30;1-13-25-21(24)19-22(26-13)30-23(2,3)20(27-19)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-18(28)29/h10-13,17-18,33H,6-9,14-15H2,1-5H3,(H,29,34)(H2,28,30,31);10-13,16-17H,5-9,14H2,1-4H3,(H2,27,28,29);8-10,14-15,31H,4-7,11-12H2,1-3H3,(H,27,32)(H2,26,28,29);8-11,15-16,30H,4-7,12-13H2,1-3H3,(H,26,31)(H2,25,27,28);8-11,14-15H,4-7,12H2,1-3H3,(H,28,29)(H2,24,25,26)
• InChIKey: GCHLRQJTPLRHRW-UHFFFAOYSA-N
• XLogP: 19.46
• TPSA: 600.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2274.24
LogP ≤ 5	19.46
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide?

The IUPAC name of N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide (CID 158212985) is N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide.

What is the SMILES notation for N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide?

The canonical SMILES for N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide is Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc(C3CCC(CC(=O)O)CC3)cc1)=N2.Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc(C3CCC(CCc4nc(=O)on4C)CC3)cc1)=N2.Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc(C3CCC(CNC(=O)C(C)(C)CO)CC3)cc1)=N2.Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc(C3CCC(CNC(=O)CO)CC3)c(Cl)c1)=N2.Cc1nc(N)c2c(n1)OC(C)(C)C(c1ccc(C3CCC(CNC(=O)CO)CC3)cc1)=N2.

What is the InChIKey of N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide?

The InChIKey is GCHLRQJTPLRHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3.C26H32N6O3.C24H30ClN5O3.C24H31N5O3.C23H28N4O3/c1-16-30-23(28)21-24(31-16)35-27(4,5)22(32-21)20-12-10-19(11-13-20)18-8-6-17(7-9-18)14-29-25(34)26(2,3)15-33;1-15-28-23(27)21-24(29-15)34-26(2,3)22(31-21)19-12-10-18(11-13-19)17-8-5-16(6-9-17)7-14-20-30-25(33)35-32(20)4;1-13-28-22(26)20-23(29-13)33-24(2,3)21(30-20)16-8-9-17(18(25)10-16)15-6-4-14(5-7-15)11-27-19(32)12-31;1-14-27-22(25)20-23(28-14)32-24(2,3)21(29-20)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-26-19(31)13-30;1-13-25-21(24)19-22(26-13)30-23(2,3)20(27-19)17-10-8-16(9-11-17)15-6-4-14(5-7-15)12-18(28)29/h10-13,17-18,33H,6-9,14-15H2,1-5H3,(H,29,34)(H2,28,30,31);10-13,16-17H,5-9,14H2,1-4H3,(H2,27,28,29);8-10,14-15,31H,4-7,11-12H2,1-3H3,(H,27,32)(H2,26,28,29);8-11,15-16,30H,4-7,12-13H2,1-3H3,(H,26,31)(H2,25,27,28);8-11,14-15H,4-7,12H2,1-3H3,(H,28,29)(H2,24,25,26).

What are the key properties of N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide?

N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide has a molecular weight of 2274.24 g/mol, XLogP of 19.46, 25 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)-2-chlorophenyl]cyclohexyl]methyl]-2-hydroxyacetamide;2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;3-[2-[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]ethyl]-2-methyl-1,2,4-oxadiazol-5-one;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-2-hydroxyacetamide;N-[[4-[4-(4-amino-2,7,7-trimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]methyl]-3-hydroxy-2,2-dimethylpropanamide is sourced from PubChem (CID 158212985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).