5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one

C₈₆H₉₉N₁₅O₈ — CID 161052737

About 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one

5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one (PubChem CID 161052737) has the molecular formula C₈₆H₉₉N₁₅O₈ and a molecular weight of 1470.83 g/mol. Its IUPAC name is 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one.

Molecular Properties

• Compound Name: 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one
• PubChem CID: 161052737
• Molecular Formula: C₈₆H₉₉N₁₅O₈
• Molecular Weight: 1470.83 g/mol
• Exact Mass: 1469.78
• IUPAC Name: 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one
• SMILES: C=C(Cc1ccn(C(C)C)c(=O)n1)c1ccccc1.C=C(Cc1nc(=O)n(C(C)C)cc1C)c1ccccc1.C=C1NC(=O)N(C(C)C)C=C1C.CC(C)n1cnc2c(CC(=O)c3ccccc3)ncnc21.CC(C)n1cnc2c(OCc3ccc(OC(=O)C(C)(C)C)cc3)nc(NC(=O)Cc3ccccc3)nc21
• InChI: InChI=1S/C28H31N5O4.C17H20N2O.C16H16N4O.C16H18N2O.C9H14N2O/c1-18(2)33-17-29-23-24(33)31-27(30-22(34)15-19-9-7-6-8-10-19)32-25(23)36-16-20-11-13-21(14-12-20)37-26(35)28(3,4)5;1-12(2)19-11-14(4)16(18-17(19)20)10-13(3)15-8-6-5-7-9-15;1-11(2)20-10-19-15-13(17-9-18-16(15)20)8-14(21)12-6-4-3-5-7-12;1-12(2)18-10-9-15(17-16(18)19)11-13(3)14-7-5-4-6-8-14;1-6(2)11-5-7(3)8(4)10-9(11)12/h6-14,17-18H,15-16H2,1-5H3,(H,30,31,32,34);5-9,11-12H,3,10H2,1-2,4H3;3-7,9-11H,8H2,1-2H3;4-10,12H,3,11H2,1-2H3;5-6H,4H2,1-3H3,(H,10,12)
• InChIKey: UCIVQNCSAGDMGS-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 271.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1470.83
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one?

The IUPAC name of 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one (CID 161052737) is 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one.

What is the SMILES notation for 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one?

The canonical SMILES for 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one is C=C(Cc1ccn(C(C)C)c(=O)n1)c1ccccc1.C=C(Cc1nc(=O)n(C(C)C)cc1C)c1ccccc1.C=C1NC(=O)N(C(C)C)C=C1C.CC(C)n1cnc2c(CC(=O)c3ccccc3)ncnc21.CC(C)n1cnc2c(OCc3ccc(OC(=O)C(C)(C)C)cc3)nc(NC(=O)Cc3ccccc3)nc21.

What is the InChIKey of 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one?

The InChIKey is UCIVQNCSAGDMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4.C17H20N2O.C16H16N4O.C16H18N2O.C9H14N2O/c1-18(2)33-17-29-23-24(33)31-27(30-22(34)15-19-9-7-6-8-10-19)32-25(23)36-16-20-11-13-21(14-12-20)37-26(35)28(3,4)5;1-12(2)19-11-14(4)16(18-17(19)20)10-13(3)15-8-6-5-7-9-15;1-11(2)20-10-19-15-13(17-9-18-16(15)20)8-14(21)12-6-4-3-5-7-12;1-12(2)18-10-9-15(17-16(18)19)11-13(3)14-7-5-4-6-8-14;1-6(2)11-5-7(3)8(4)10-9(11)12/h6-14,17-18H,15-16H2,1-5H3,(H,30,31,32,34);5-9,11-12H,3,10H2,1-2,4H3;3-7,9-11H,8H2,1-2H3;4-10,12H,3,11H2,1-2H3;5-6H,4H2,1-3H3,(H,10,12).

What are the key properties of 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one?

5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one has a molecular weight of 1470.83 g/mol, XLogP of 16.26, 21 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-methylidene-1-propan-2-ylpyrimidin-2-one;5-methyl-4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one;[4-[[2-[(2-phenylacetyl)amino]-9-propan-2-ylpurin-6-yl]oxymethyl]phenyl] 2,2-dimethylpropanoate;1-phenyl-2-(9-propan-2-ylpurin-6-yl)ethanone;4-(2-phenylprop-2-enyl)-1-propan-2-ylpyrimidin-2-one is sourced from PubChem (CID 161052737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161052737 — identifiers, structure, computed properties (public domain)

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